nb_kernel_t *
-nb_kernel_list_findkernel(FILE * log,
+nb_kernel_list_findkernel(FILE gmx_unused * log,
const char * arch,
const char * electrostatics,
const char * electrostatics_modifier,
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwBham_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCSTab_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwBham_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwLJ_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecCoul_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwBhamSh_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSh_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEwSw_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwBham_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwBham_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwBham_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwBham_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwCSTab_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwLJ_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecEw_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecEw_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecGB_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecGB_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecGB_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecGB_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecGB_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwLJSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwLJSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwLJSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSh_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwBhamSw_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRFCut_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwBham_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwBham_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwBham_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwBham_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwBham_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwBham_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwBham_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwBham_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwBham_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwBham_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwCSTab_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwLJ_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwLJ_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwLJ_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwNone_GeomP1P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwNone_GeomP1P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwNone_GeomW3P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwNone_GeomW3P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwNone_GeomW3W3_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwNone_GeomW3W3_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwNone_GeomW4P1_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwNone_GeomW4P1_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifdef HAVE_CONFIG_H
#include <config.h>
*/
void
nb_kernel_ElecRF_VdwNone_GeomW4W4_VF_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
*/
void
nb_kernel_ElecRF_VdwNone_GeomW4W4_F_c
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
int i_shift_offset,i_coord_offset,j_coord_offset;
int j_index_start,j_index_end;
void
-nb_kernel_allvsall(t_nblist * nlist,
+nb_kernel_allvsall(t_nblist gmx_unused * nlist,
rvec * xx,
rvec * ff,
t_forcerec * fr,
void
-nb_kernel_allvsallgb(t_nblist * nlist,
+nb_kernel_allvsallgb(t_nblist gmx_unused * nlist,
rvec * xx,
rvec * ff,
t_forcerec * fr,
/*
- * Note: this file was generated by the Gromacs c kernel generator.
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
+ * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * David van der Spoel, Berk Hess, Erik Lindahl, and including many
+ * others, as listed in the AUTHORS file in the top-level source
+ * directory and at http://www.gromacs.org.
*
- * G R O M A C S
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
+ * of the License, or (at your option) any later version.
*
- * Copyright (c) 2001-2012, The GROMACS Development Team
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+ * Lesser General Public License for more details.
*
- * Gromacs is a library for molecular simulation and trajectory analysis,
- * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
- * a full list of developers and information, check out http://www.gromacs.org
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
- * This program is free software; you can redistribute it and/or modify it under
- * the terms of the GNU Lesser General Public License as published by the Free
- * Software Foundation; either version 2 of the License, or (at your option) any
- * later version.
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * To help fund GROMACS development, we humbly ask that you cite
- * the papers people have written on it - you can find them on the website.
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
+ */
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
*/
#ifndef nb_kernel_c_h
#define nb_kernel_c_h
*/
void
{KERNEL_NAME}
- (t_nblist * gmx_restrict nlist,
- rvec * gmx_restrict xx,
- rvec * gmx_restrict ff,
- t_forcerec * gmx_restrict fr,
- t_mdatoms * gmx_restrict mdatoms,
- nb_kernel_data_t * gmx_restrict kernel_data,
- t_nrnb * gmx_restrict nrnb)
+ (t_nblist * gmx_restrict nlist,
+ rvec * gmx_restrict xx,
+ rvec * gmx_restrict ff,
+ t_forcerec * gmx_restrict fr,
+ t_mdatoms * gmx_restrict mdatoms,
+ nb_kernel_data_t gmx_unused * gmx_restrict kernel_data,
+ t_nrnb * gmx_restrict nrnb)
{
/* ## Not all variables are used for all kernels, but any optimizing compiler fixes that, */
/* ## so there is no point in going to extremes to exclude variables that are not needed. */
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff