More modular position handling.
[gromacs/qmmm-gamess-us.git] / include / calcgrid.h
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35 #ifdef HAVE_CONFIG_H
36 #include <config.h>
37 #endif
39 extern real calc_grid(FILE *fp,
40 matrix box,real gr_sp,
41 int *nx,int *ny,int *nz,int nnodes);
42 /* Sets the number of grid points for each zero n* to the first reasonable
43 * number which gives a spacing equal to or smaller than gr_sp.
44 * nx and ny should be divisible by nnodes, an error is generated when this
45 * can not be achieved by calc_grid.
46 * Returns the maximum grid spacing.