src/gmxlib/nonbonded/nb_kernel_power6/nb_kernel201_power6.c

   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
  31 /*! \file  nb_kernel201_power6.c
  32  *  \brief Wrapper for fortran nonbonded kernel 201
  33  *
  34  *  \internal
  35  */
  36 #ifdef HAVE_CONFIG_H
  37 #include <config.h>
  38 #endif
  39
  40 #include <types/simple.h>
  41
  42 #ifndef F77_FUNC
  43 #define F77_FUNC(name,NAME) name ## _
  44 #endif
  45
  46 /* Declarations of Fortran routines.
  47  * We avoid using underscores in F77 identifiers for portability!
  48  */
  49 void
  50 F77_FUNC(pwr6kernel201,PWR6KERNEL201)
  51      (int *         nri,        int *         iinr,
  52       int *         jindex,     int *         jjnr,
  53       int *         shift,      real *        shiftvec,
  54       real *        fshift,     int *         gid,
  55       real *        pos,        real *        faction,
  56       real *        charge,     real *        facel,
  57       real *        krf,        real *        crf,
  58       real *        Vc,         int *         type,
  59       int *         ntype,      real *        vdwparam,
  60       real *        Vvdw,       real *        tabscale,
  61       real *        VFtab,      real *        invsqrta,
  62       real *        dvda,       real *        gbtabscale,
  63       real *        GBtab,      int *         nthreads,
  64       int *         count,      void *        mtx,
  65       int *         outeriter,  int *         inneriter,
  66       real *        work);
  67
  68 void
  69 F77_FUNC(pwr6kernel201nf,PWR6KERNEL201NF)
  70      (int *         nri,        int *         iinr,
  71       int *         jindex,     int *         jjnr,
  72       int *         shift,      real *        shiftvec,
  73       real *        fshift,     int *         gid,
  74       real *        pos,        real *        faction,
  75       real *        charge,     real *        facel,
  76       real *        krf,        real *        crf,
  77       real *        Vc,         int *         type,
  78       int *         ntype,      real *        vdwparam,
  79       real *        Vvdw,       real *        tabscale,
  80       real *        VFtab,      real *        invsqrta,
  81       real *        dvda,       real *        gbtabscale,
  82       real *        GBtab,      int *         nthreads,
  83       int *         count,      void *        mtx,
  84       int *         outeriter,  int *         inneriter,
  85       real *        work);
  86
  87
  88 void
  89 nb_kernel201_power6
  90      (int *         nri,        int *         iinr,
  91       int *         jindex,     int *         jjnr,
  92       int *         shift,      real *        shiftvec,
  93       real *        fshift,     int *         gid,
  94       real *        pos,        real *        faction,
  95       real *        charge,     real *        facel,
  96       real *        krf,        real *        crf,
  97       real *        Vc,         int *         type,
  98       int *         ntype,      real *        vdwparam,
  99       real *        Vvdw,       real *        tabscale,
 100       real *        VFtab,      real *        invsqrta,
 101       real *        dvda,       real *        gbtabscale,
 102       real *        GBtab,      int *         nthreads,
 103       int *         count,      void *        mtx,
 104       int *         outeriter,  int *         inneriter,
 105       real *        work)
 106 {
 107   F77_FUNC(pwr6kernel201,PWR6KERNEL201)
 108     (nri,iinr,jindex,jjnr,shift,shiftvec,fshift,gid,pos,faction,
 109      charge,facel,krf,crf,Vc,type,ntype,vdwparam,Vvdw,tabscale,
 110      VFtab,invsqrta,dvda,gbtabscale,GBtab,nthreads,count,mtx,
 111      outeriter,inneriter,work);
 112 }
 113
 114
 115
 116 void
 117 nb_kernel201nf_power6
 118      (int *         nri,        int           iinr[],
 119       int           jindex[],   int           jjnr[],
 120       int           shift[],    real          shiftvec[],
 121       real          fshift[],   int           gid[],
 122       real          pos[],      real          faction[],
 123       real          charge[],   real *        facel,
 124       real *        krf,        real *        crf,
 125       real          Vc[],       int           type[],
 126       int *         ntype,      real          vdwparam[],
 127       real          Vvdw[],     real *        tabscale,
 128       real          VFtab[],    real          invsqrta[],
 129       real          dvda[],     real *        gbtabscale,
 130       real          GBtab[],    int *         nthreads,
 131       int *         count,      void *        mtx,
 132       int *         outeriter,  int *         inneriter,
 133       real *        work)
 134 {
 135   F77_FUNC(pwr6kernel201nf,PWR6KERNEL201NF)
 136     (nri,iinr,jindex,jjnr,shift,shiftvec,fshift,gid,pos,faction,
 137      charge,facel,krf,crf,Vc,type,ntype,vdwparam,Vvdw,tabscale,
 138      VFtab,invsqrta,dvda,gbtabscale,GBtab,nthreads,count,mtx,
 139      outeriter,inneriter,work);
 140 }
 141
 142