Added selection examples.
[gromacs/qmmm-gamess-us.git] / include / reorder.h
blob74221f87539847c5ea51361c44cc7707c050d0af
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36 #ifndef _reorder_h
37 #define _reorder_h
39 #ifdef HAVE_CONFIG_H
40 #include <config.h>
41 #endif
43 #ifdef __cplusplus
44 extern "C" {
45 #endif
47 extern void reorder(t_topology *topin,t_topology topout[],
48 int nnodes,int load[],int tload[]);
50 * All atoms used in topin are distributed over nnodes topologies in
51 * topout, where all atom id's are reset, start counting at zero. The
52 * bonded force parameters of topin are distributed using the highest
53 * atom id of a bond. The bonds is then placed on the node where
54 * this atom is a home particle. Due to the algorithm, a node
55 * receives the rest of its subsystem from the nodes with a lower
56 * number (modulo nnodes). The array load specifies the number of atom
57 * to be allocated to every node.
59 #ifdef __cplusplus
61 #endif
63 #endif /* _reorder_h */