src/gromacs/mdlib/genborn_allvsall_sse2_single.h

   1 /*
   2  *                This source code is part of
   3  *
   4  *                 G   R   O   M   A   C   S
   5  *
   6  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
   7  * Copyright (c) 2001-2009, The GROMACS Development Team
   8  *
   9  * Gromacs is a library for molecular simulation and trajectory analysis,
  10  * written by Erik Lindahl, David van der Spoel, Berk Hess, and others - for
  11  * a full list of developers and information, check out http://www.gromacs.org
  12  *
  13  * This program is free software; you can redistribute it and/or modify it under
  14  * the terms of the GNU Lesser General Public License as published by the Free
  15  * Software Foundation; either version 2 of the License, or (at your option) any
  16  * later version.
  17  * As a special exception, you may use this file as part of a free software
  18  * library without restriction.  Specifically, if other files instantiate
  19  * templates or use macros or inline functions from this file, or you compile
  20  * this file and link it with other files to produce an executable, this
  21  * file does not by itself cause the resulting executable to be covered by
  22  * the GNU Lesser General Public License.
  23  *
  24  * In plain-speak: do not worry about classes/macros/templates either - only
  25  * changes to the library have to be LGPL, not an application linking with it.
  26  *
  27  * To help fund GROMACS development, we humbly ask that you cite
  28  * the papers people have written on it - you can find them on the website!
  29  */
  30 #ifndef _GENBORN_ALLVSALL_SSE2_SINGLE_H
  31 #define _GENBORN_ALLVSALL_SSE2_SINGLE_H
  32
  33 #ifdef HAVE_CONFIG_H
  34 #include <config.h>
  35 #endif
  36
  37 #include "types/simple.h"
  38 #include "typedefs.h"
  39
  40 int
  41 genborn_allvsall_calc_still_radii_sse2_single(t_forcerec *           fr,
  42                                               t_mdatoms *            mdatoms,
  43                                               gmx_genborn_t *        born,
  44                                               gmx_localtop_t *       top,
  45                                               real *                 x,
  46                                               t_commrec *            cr,
  47                                               void *                 work);
  48
  49 int
  50 genborn_allvsall_calc_hct_obc_radii_sse2_single(t_forcerec *           fr,
  51                                                 t_mdatoms *            mdatoms,
  52                                                 gmx_genborn_t *        born,
  53                                                 int                    gb_algorithm,
  54                                                 gmx_localtop_t *       top,
  55                                                 real *                 x,
  56                                                 t_commrec *            cr,
  57                                                 void *                 work);
  58
  59 int
  60 genborn_allvsall_calc_chainrule_sse2_single(t_forcerec *           fr,
  61                                             t_mdatoms *            mdatoms,
  62                                             gmx_genborn_t *        born,
  63                                             real *                 x,
  64                                             real *                 f,
  65                                             int                    gb_algorithm,
  66                                             void *                 work);
  67
  68 #endif
  69