include/calcgrid.h

   1 /*
   2  * $Id$
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   4  *                This source code is part of
   5  *
   6  *                 G   R   O   M   A   C   S
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   8  *          GROningen MAchine for Chemical Simulations
   9  *
  10  *                        VERSION 3.1
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  12  * This program is free software; you can redistribute it and/or
  13  * modify it under the terms of the GNU General Public License
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  15  * of the License, or (at your option) any later version.
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  32 static char *SRCID_calcgrid_h = "$Id$";
  33 #ifdef HAVE_CONFIG_H
  34 #include <config.h>
  35 #endif
  36
  37 real calc_grid(matrix box,real gr_sp,int *nx,int *ny,int *nz,int nnodes);
  38 /* Sets the number of grid points for each zero n* to the first reasonable
  39  * number which gives a spacing equal to or smaller than gr_sp.
  40  * nx and ny should be divisible by nnodes, an error is generated when this
  41  * can not be achieved by calc_grid.
  42  * Returns the maximum grid spacing.
  43  */