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44 extern void calc_nsbshift(FILE *fp
,t_nsborder
*nsb
);
45 /* Calculates the shift and bshift variables */
47 extern void calc_nsb(FILE *fp
,t_block
*cgs
,int nprocs
,
48 t_nsborder
*nsb
,int nstDlb
);
49 /* Calculate which blocks of charge groups should be calculated,
50 * depending on processor number.
53 extern void print_nsb(FILE *fp
,char *title
,t_nsborder
*nsb
);
54 /* Print the values to file */
56 /*extern bool cg_avail(int icg,int jcg,t_nsborder *nsb);*/
57 /* Determine whether a charge group jcg is in the domain of icg:
58 * this is necessary for searching on a grid, to avoid double
59 * pairs of interactions.
62 /*extern int cg_index(int icg,t_nsborder *nsb);*/
63 /* Perform a modulo calculation giving the correct cg index */