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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8627 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-13 21:42:40 +00:00
parent 6304a8c9bf
commit 21e03d8e5c
1 changed files with 3 additions and 5 deletions
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8
src/library.cpp
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@ -373,7 +373,7 @@ int lammps_get_natoms(void *ptr)
count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f
return atom-based values in data, ordered by count, then by atom ID return atom-based values in data, ordered by count, then by atom ID
e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],... e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],...
data must be allocated by caller to correct length data must be pre-allocated by caller to correct length
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void lammps_gather_atoms(void *ptr, char *name, void lammps_gather_atoms(void *ptr, char *name,
@ -451,15 +451,13 @@ void lammps_gather_atoms(void *ptr, char *name,
} }
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
gather the named atom-based entity across all processors scatter the named atom-based entity across all processors
name = desired quantity, e.g. x or charge name = desired quantity, e.g. x or charge
type = 0 for integer values, 1 for double values type = 0 for integer values, 1 for double values
count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f count = # of per-atom values, e.g. 1 for type or charge, 3 for x or f
return atom-based values in data, ordered by count, then by atom ID data = atom-based values in data, ordered by count, then by atom ID
e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],... e.g. x[0][0],x[0][1],x[0][2],x[1][0],x[1][1],x[1][2],x[2][0],...
data must be allocated by caller to correct length
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void lammps_scatter_atoms(void *ptr, char *name, void lammps_scatter_atoms(void *ptr, char *name,