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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-07-22 22:52:44 +00:00
parent 6760d0dd57
commit f01d9363e7
2 changed files with 19 additions and 0 deletions
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18
src/compute_property_atom.cpp
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@ -23,6 +23,7 @@
#include "atom_vec_body.h"
#include "update.h"
#include "domain.h"
#include "comm.h"
#include "memory.h"
#include "error.h"
@ -57,6 +58,8 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Compute property/atom for "
"atom property that isn't allocated");
pack_choice[i] = &ComputePropertyAtom::pack_molecule;
} else if (strcmp(arg[iarg],"proc") == 0) {
pack_choice[i] = &ComputePropertyAtom::pack_proc;
} else if (strcmp(arg[iarg],"type") == 0) {
pack_choice[i] = &ComputePropertyAtom::pack_type;
} else if (strcmp(arg[iarg],"mass") == 0) {
@ -455,6 +458,21 @@ void ComputePropertyAtom::pack_molecule(int n)
/* ---------------------------------------------------------------------- */
void ComputePropertyAtom::pack_proc(int n)
{
int *mask = atom->mask;
int nlocal = atom->nlocal;
int me = comm->me;
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) buf[n] = me;
else buf[n] = 0.0;
n += nvalues;
}
}
/* ---------------------------------------------------------------------- */
void ComputePropertyAtom::pack_type(int n)
{
int *type = atom->type;

1
src/compute_property_atom.h
View File

@ -49,6 +49,7 @@ class ComputePropertyAtom : public Compute {
void pack_id(int);
void pack_molecule(int);
void pack_proc(int);
void pack_type(int);
void pack_mass(int);