include/mvdata.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _mvdata_h
  31 #define _mvdata_h
  32
  33 static char *SRCID_mvdata_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) mvdata.h 1.6 11/23/92"
  37 #endif /* HAVE_IDENT */
  38
  39 #include "typedefs.h"
  40 #include "nsb.h"
  41
  42 extern void ld_data(int left,int right,t_parm *parm,t_nsborder *nsb,
  43                     t_topology *top,rvec **x,rvec **v);
  44
  45 extern void mv_data(int left,int right,t_parm *parm,t_nsborder *nsb,
  46                     t_topology *top,rvec x[],rvec v[]);
  47
  48 extern void move_cgcm(FILE *log,t_commrec *cr,rvec cg_cm[],int nload[]);
  49
  50 extern void move_rvecs(FILE *log,bool bForward,bool bSum,
  51                        int left,int right,rvec vecs[],rvec buf[],
  52                        int shift,t_nsborder *nsb,t_nrnb *nrnb);
  53
  54 extern void move_x(FILE *log,
  55                    int left,int right,rvec x[],t_nsborder *nsb,t_nrnb *nrnb);
  56
  57 extern void move_f(FILE *log,
  58                    int left,int right,rvec f[],rvec fadd[],
  59                    t_nsborder *nsb,t_nrnb *nrnb);
  60
  61 #endif  /* _mvdata_h */