include/splitter.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
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  21  * scientific software is very special. Version control is crucial -
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  29  *
  30  * For more info, check our website at http://www.gromacs.org
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  34  */
  35
  36 #ifndef _splitter_h
  37 #define _splitter_h
  38
  39 #include "types/inputrec.h"
  40
  41 extern void split_top(FILE *fp,int nnodes,gmx_localtop_t *top,
  42                       t_inputrec *ir,t_block *mols,
  43                       real *capacity,int *mulitnr_cgs,int **multinr_nre,
  44                       int *left_range, int *right_range);
  45 /* Split the topology (blocks and forces, based on charge groups
  46  * and shake blocks.
  47  * The capacity is releated to the capacity of each node. If all numbers are
  48  * equal, load will be distributed equally. If not some (the higher ones)
  49  * will get more than others. The sum of capacities should be 1.
  50  * Info is written to the file pointer fp.
  51  */
  52
  53 extern void gen_sblocks(FILE *fp,int at_start,int at_end,
  54                         t_idef *idef,t_blocka *sblock,
  55                         bool bSettle);
  56 /* Generate shake blocks from the constraint list. Set bSettle to yes for shake
  57  * blocks including settles. You normally do not want this.
  58  */
  59
  60 #endif