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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-01-28 15:55:56 +00:00
parent 3eb045688b
commit 86daf16069
23 changed files with 149 additions and 54 deletions
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14
src/create_atoms.cpp
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@ -24,6 +24,7 @@
#include "force.h"
#include "special.h"
#include "fix.h"
#include "compute.h"
#include "domain.h"
#include "lattice.h"
#include "region.h"
@ -355,7 +356,10 @@ void CreateAtoms::command(int narg, char **arg)
else if (style == RANDOM) add_random();
else add_lattice();
// invoke set_arrays() for fixes that need initialization of new atoms
// invoke set_arrays() for fixes/computes/variables
// that need initialization of attributes of new atoms
// don't use modify->create_attributes() since would be inefficient
// for large number of atoms
int nlocal = atom->nlocal;
for (int m = 0; m < modify->nfix; m++) {
@ -364,6 +368,14 @@ void CreateAtoms::command(int narg, char **arg)
for (int i = nlocal_previous; i < nlocal; i++)
fix->set_arrays(i);
}
for (int m = 0; m < modify->ncompute; m++) {
Compute *compute = modify->compute[m];
if (compute->create_attribute)
for (int i = nlocal_previous; i < nlocal; i++)
compute->set_arrays(i);
}
for (int i = nlocal_previous; i < nlocal; i++)
input->variable->set_arrays(i);
// restore each equal variable string previously saved