src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel301_x86_64_sse.h

   1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
   2  *
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   4  * This file is part of Gromacs        Copyright (c) 1991-2004
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  18 #ifndef _NB_KERNEL301_X86_64_SSE_H_
  19 #define _NB_KERNEL301_X86_64_SSE_H_
  20
  21
  22 /*! \file  nb_kernel301_x86_64_sse.h
  23  *  \brief x86_64 SSE-optimized versions of nonbonded kernel 301
  24  *
  25  *  \internal
  26  */
  27
  28 #ifdef __cplusplus
  29 extern "C" {
  30 #endif
  31 #if 0
  32 }
  33 #endif
  34
  35
  36
  37 /*! \brief Nonbonded kernel 301 with forces, optimized for x86_64 sse.
  38  *
  39  *  \internal
  40  *
  41  *  <b>Coulomb interaction:</b> Tabulated <br>
  42  *  <b>VdW interaction:</b> No <br>
  43  *  <b>Water optimization:</b> SPC/TIP3P interacting with non-water atoms <br>
  44  *  <b>Forces calculated:</b> Yes <br>
  45  *
  46  *  \note All level1 and level2 nonbonded kernels use the same
  47  *        call sequence. Parameters are documented in nb_kernel.h
  48  */
  49 void
  50 nb_kernel301_x86_64_sse  (int *   nri,        int     iinr[],   int     jindex[],
  51                        int     jjnr[],     int     shift[],  float   shiftvec[],
  52                        float   fshift[],   int     gid[],    float   pos[],
  53                        float   faction[],  float   charge[], float * facel,
  54                        float * krf,        float * crf,      float   Vc[],
  55                        int     type[],     int *   ntype,    float   vdwparam[],
  56                        float   Vvdw[],     float * tabscale, float   VFtab[],
  57                        float   invsqrta[], float   dvda[],   float * gbtabscale,
  58                        float   GBtab[],    int *   nthreads, int *   count,
  59                        void *  mtx,        int *   outeriter,int *   inneriter,
  60                        float * work);
  61
  62
  63
  64 /*! \brief Nonbonded kernel 301 without forces, optimized for x86_64 sse.
  65  *
  66  *  \internal
  67  *
  68  *  <b>Coulomb interaction:</b> Tabulated <br>
  69  *  <b>VdW interaction:</b> No <br>
  70  *  <b>Water optimization:</b> SPC/TIP3P interacting with non-water atoms <br>
  71  *  <b>Forces calculated:</b> No <br>
  72  *
  73  *  \note All level1 and level2 nonbonded kernels use the same
  74  *        call sequence. Parameters are documented in nb_kernel.h
  75  */
  76 void
  77 nb_kernel301nf_x86_64_sse(int *   nri,        int     iinr[],   int     jindex[],
  78                        int     jjnr[],     int     shift[],  float   shiftvec[],
  79                        float   fshift[],   int     gid[],    float   pos[],
  80                        float   faction[],  float   charge[], float * facel,
  81                        float * krf,        float * crf,      float   Vc[],
  82                        int     type[],     int *   ntype,    float   vdwparam[],
  83                        float   Vvdw[],     float * tabscale, float   VFtab[],
  84                        float   invsqrta[], float   dvda[],   float * gbtabscale,
  85                        float   GBtab[],    int *   nthreads, int *   count,
  86                        void *  mtx,        int *   outeriter,int *   inneriter,
  87                        float * work);
  88
  89
  90 #ifdef __cplusplus
  91 }
  92 #endif
  93
  94
  95
  96 #endif /* _NB_KERNEL301_X86_64_SSE_H_ */