/*
- * 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) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and 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.
*/
-#ifndef nb_kernel_c_h
-#define nb_kernel_c_h
+/*
+ * Note: this file was generated by the GROMACS c kernel generator.
+ */
+#include "gmxpre.h"
-#include "../nb_kernel.h"
+#include "gromacs/gmxlib/nonbonded/nb_kernel.h"
+nb_kernel_t nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c;
nb_kernel_t nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c;
nb_kernel_t nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c;
nb_kernel_t nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c;
nb_kernel_t nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c;
nb_kernel_t nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c;
nb_kernel_t nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c;
nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c;
nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c;
nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c;
nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c;
nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c;
nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c;
nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c;
nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c;
nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c;
nb_kernel_info_t
-kernellist_c[] =
+ kernellist_c[] =
{
+ { nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c", "c", "None", "None", "LJEwald", "None", "ParticleParticle", "", "PotentialAndForce" },
+ { nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c", "c", "None", "None", "LJEwald", "None", "ParticleParticle", "", "Force" },
+ { nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c", "c", "None", "None", "LJEwald", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
+ { nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c", "c", "None", "None", "LJEwald", "PotentialShift", "ParticleParticle", "", "Force" },
{ nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c", "c", "None", "None", "LennardJones", "None", "ParticleParticle", "", "PotentialAndForce" },
{ nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c", "c", "None", "None", "LennardJones", "None", "ParticleParticle", "", "Force" },
{ nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c", "c", "None", "None", "LennardJones", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
{ nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c", "c", "None", "None", "Buckingham", "PotentialShift", "ParticleParticle", "", "Force" },
{ nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c", "c", "None", "None", "Buckingham", "PotentialSwitch", "ParticleParticle", "", "PotentialAndForce" },
{ nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c", "c", "None", "None", "Buckingham", "PotentialSwitch", "ParticleParticle", "", "Force" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "ParticleParticle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "ParticleParticle", "", "Force" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Particle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Particle", "", "Force" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Water3", "", "PotentialAndForce" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Water3", "", "Force" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Particle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Particle", "", "Force" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Water4", "", "PotentialAndForce" },
+ { nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Water4", "", "Force" },
{ nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c, "nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c", "c", "Ewald", "None", "LennardJones", "None", "ParticleParticle", "", "PotentialAndForce" },
{ nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c, "nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c", "c", "Ewald", "None", "LennardJones", "None", "ParticleParticle", "", "Force" },
{ nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c, "nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c", "c", "Ewald", "None", "LennardJones", "None", "Water3Particle", "", "PotentialAndForce" },
{ nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c, "nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Particle", "", "Force" },
{ nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c, "nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Water4", "", "PotentialAndForce" },
{ nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c, "nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Water4", "", "Force" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "ParticleParticle", "", "Force" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Particle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Particle", "", "Force" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Water3", "", "PotentialAndForce" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Water3", "", "Force" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Particle", "", "PotentialAndForce" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Particle", "", "Force" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Water4", "", "PotentialAndForce" },
+ { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Water4", "", "Force" },
{ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
{ nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "ParticleParticle", "", "Force" },
{ nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "Water3Particle", "", "PotentialAndForce" },
};
int
-kernellist_c_size = sizeof(kernellist_c)/sizeof(kernellist_c[0]);
-
-#endif
+ kernellist_c_size = sizeof(kernellist_c)/sizeof(kernellist_c[0]);
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff