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33 * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
40 #include "types/inputrec.h"
46 void split_top(FILE *fp,int nnodes,gmx_localtop_t *top,
47 t_inputrec *ir,t_block *mols,
48 real *capacity,int *mulitnr_cgs,int **multinr_nre,
49 int *left_range, int *right_range);
50 /* Split the topology (blocks and forces, based on charge groups
52 * The capacity is releated to the capacity of each node. If all numbers are
53 * equal, load will be distributed equally. If not some (the higher ones)
54 * will get more than others. The sum of capacities should be 1.
55 * Info is written to the file pointer fp.
58 void gen_sblocks(FILE *fp,int at_start,int at_end,
59 t_idef *idef,t_blocka *sblock,
61 /* Generate shake blocks from the constraint list. Set bSettle to yes for shake
62 * blocks including settles. You normally do not want this.