nb_kernel331_ia32_3dnow.h

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/* -*- mode: c; tab-width: 4; indent-tabs-mode: n; c-basic-offset: 4 -*- 
 *
 * $Id: nb_kernel331_ia32_3dnow.h,v 1.1 2004/12/26 19:27:08 lindahl Exp $
 * 
 * This file is part of Gromacs        Copyright (c) 1991-2004
 * David van der Spoel, Erik Lindahl, University of Groningen.
 *
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU General Public License
 * as published by the Free Software Foundation; either version 2
 * of the License, or (at your option) any later version.
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#ifndef _NB_KERNEL331_IA32_3DNOW_H_
#define _NB_KERNEL331_IA32_3DNOW_H_

/*! \file  nb_kernel331_ia32_3dnow.h
 *  \brief ia32 3DNow-optimized versions of nonbonded kernel 331
 *
 *  \internal
 */


/*! \brief Nonbonded kernel 331 with forces, optimized for ia32 3DNow.
 *
 *  \internal
 *
 *  <b>Coulomb interaction:</b> Tabulated <br>
 *  <b>VdW interaction:</b> Tabulated <br>
 *  <b>Water optimization:</b> SPC/TIP3P interacting with non-water atoms <br>
 *  <b>Forces calculated:</b> Yes <br>
 *
 *  \note All level1 and level2 nonbonded kernels use the same
 *        call sequence. Parameters are documented in nb_kernel.h
 */
void
nb_kernel331_ia32_3dnow  (int *   nri,        int     iinr[],   int     jindex[],
                          int     jjnr[],     int     shift[],  float   shiftvec[],
                          float   fshift[],   int     gid[],    float   pos[],
                          float   faction[],  float   charge[], float * facel,
                          float * krf,        float * crf,      float   Vc[],
                          int     type[],     int *   ntype,    float   vdwparam[],
                          float   Vvdw[],     float * tabscale, float   VFtab[],
                          float   invsqrta[], float   dvda[],   float * gbtabscale,
                          float   GBtab[],    int *   nthreads, int *   count,
                          void *  mtx,        int *   outeriter,int *   inneriter,
                          float * work);


/*! \brief Nonbonded kernel 331 without forces, optimized for ia32 3DNow.
 *
 *  \internal
 *
 *  <b>Coulomb interaction:</b> Tabulated <br>
 *  <b>VdW interaction:</b> Tabulated <br>
 *  <b>Water optimization:</b> SPC/TIP3P interacting with non-water atoms <br>
 *  <b>Forces calculated:</b> No <br>
 *
 *  \note All level1 and level2 nonbonded kernels use the same
 *        call sequence. Parameters are documented in nb_kernel.h
 */
void
nb_kernel331nf_ia32_3dnow(int *   nri,        int     iinr[],   int     jindex[],
                          int     jjnr[],     int     shift[],  float   shiftvec[],
                          float   fshift[],   int     gid[],    float   pos[],
                          float   faction[],  float   charge[], float * facel,
                          float * krf,        float * crf,      float   Vc[],
                          int     type[],     int *   ntype,    float   vdwparam[],
                          float   Vvdw[],     float * tabscale, float   VFtab[],
                          float   invsqrta[], float   dvda[],   float * gbtabscale,
                          float   GBtab[],    int *   nthreads, int *   count,
                          void *  mtx,        int *   outeriter,int *   inneriter,
                          float * work);






#endif /* _NB_KERNEL331_IA32_3DNOW_H_ */