4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-1999
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
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)
21 * Also check out our WWW page:
22 * http://md.chem.rug.nl/~gmx
27 * Good ROcking Metal Altar for Chronical Sinners
33 static char *SRCID_nsb_h = "$Id$";
39 extern void calc_nsbshift(FILE *fp,t_nsborder *nsb);
40 /* Calculates the shift and bshift variables */
42 extern void calc_nsb(FILE *fp,t_block *cgs,int nprocs,
43 t_nsborder *nsb,int nstDlb);
44 /* Calculate which blocks of charge groups should be calculated,
45 * depending on processor number.
48 extern void print_nsb(FILE *fp,char *title,t_nsborder *nsb);
49 /* Print the values to file */
51 /*extern bool cg_avail(int icg,int jcg,t_nsborder *nsb);*/
52 /* Determine whether a charge group jcg is in the domain of icg:
53 * this is necessary for searching on a grid, to avoid double
54 * pairs of interactions.
57 /*extern int cg_index(int icg,t_nsborder *nsb);*/
58 /* Perform a modulo calculation giving the correct cg index */