include/vveclib.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  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 #ifndef _vveclib_h
  31 #define _vveclib_h
  32
  33 static char *SRCID_vveclib_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) vveclib.h 1.11 2/2/97"
  37 #endif /* HAVE_IDENT */
  38
  39 #include "typedefs.h"
  40
  41 /*
  42  * Interface module for vector library.
  43  * This is a set of routines that uses
  44  * - libfv  on the i860
  45  * - veclib on the convex (future)
  46  * - some general C-routines
  47  *
  48  * The routines provided here just provide a standard header for
  49  * all systems.
  50  * All routine-names start with "v_"
  51  * All routines take type real which can be single or double
  52  * depending on options set and machine.
  53  * All routines take an integer N as first parameter which is
  54  * the vector length.
  55  */
  56
  57 extern double Flops;            /* The number of flops to date  */
  58
  59 #define FV_SAFE 12   /* Make your arrays FV_SAFE longer allways */
  60
  61 extern void v_scopy(int N,real s,real Z[]);
  62 /* copy scalar to vector (Z[i] := s) */
  63
  64 extern void v_vcopy(int N,real X[],real Z[]);
  65 /* copy vector X to vector Z (Z[i] := X[i]) */
  66
  67 extern real v_inner(int N,real X[],real Y[]);
  68 /* calculate the inner product of X and Y */
  69
  70 extern void v_scopy_s(int N,real s,real Z[],int stride);
  71 /* copy scalar to each stride's element of Z (Z[i x stride] := s */
  72
  73 extern void v_gather(int N,real B[],int IX[],real Z[]);
  74 /* gather vector: Z[i] := B[IX[i]] */
  75
  76 extern void v_scatter(int N,real B[],int IX[],real Z[]);
  77 /* scatter vector: Z[IX[i]] := B[i] */
  78
  79 extern void v_gather_us(int N,real B[],unsigned short IX[],real Z[]);
  80 /* gather vector: Z[i] := B[IX[i]] */
  81
  82 extern void v_scatter_us(int N,real B[],unsigned short IX[],real Z[]);
  83 /* scatter vector: Z[IX[i]] := B[i] */
  84
  85 extern void v_gather_us_s(int N,real B[],unsigned short IX[],real Z[],
  86                           int stride);
  87 /* gather vector: Z[stride*i] := B[IX[stride*i]] */
  88
  89 extern void v_scatter_us_s(int N,real B[],unsigned short IX[],real Z[],
  90                            int stride);
  91 /* scatter vector: Z[IX[stride*i]] := B[stride*i] */
  92
  93 extern void v_sub(int N,real X[],real Y[],real Z[]);
  94 /* vector subtract: Z[i] := X[i]-Y[i] */
  95
  96 extern void v_mul(int N,real X[],real Y[],real Z[]);
  97 /* vector multiply: Z[i] := X[i]*Y[i] */
  98
  99 extern void v_add(int N,real X[],real Y[],real Z[]);
 100 /* vector add: Z[i] := X[i]+Y[i] */
 101
 102 /********************* Other routines ****************************/
 103
 104 void dprod(tensor T, rvec V, rvec W);
 105 /* calculate the direct product: T = V(x)W */
 106
 107 void fac_dprod(tensor T, rvec V, rvec W, real fac);
 108 /* calculate the direct product and every component fac
 109  * times to T: Tij += fac * [V(x)W]ij
 110  */
 111
 112 #endif  /* _vveclib_h */