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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11352 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-28 21:50:39 +00:00
parent d2b514f351
commit 1f0f8c82c7
5 changed files with 9 additions and 8 deletions
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1
src/atom.cpp
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@ -471,6 +471,7 @@ void Atom::modify_params(int narg, char **arg)
if (strcmp(arg[iarg+1],"array") == 0) map_user = 1; if (strcmp(arg[iarg+1],"array") == 0) map_user = 1;
else if (strcmp(arg[iarg+1],"hash") == 0) map_user = 2; else if (strcmp(arg[iarg+1],"hash") == 0) map_user = 2;
else error->all(FLERR,"Illegal atom_modify command"); else error->all(FLERR,"Illegal atom_modify command");
map_style = map_user;
iarg += 2; iarg += 2;
} else if (strcmp(arg[iarg],"first") == 0) { } else if (strcmp(arg[iarg],"first") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command"); if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command");

4
src/create_atoms.cpp
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@ -270,10 +270,10 @@ void CreateAtoms::command(int narg, char **arg)
if (atom->tag_enable) atom->tag_extend(); if (atom->tag_enable) atom->tag_extend();
atom->tag_check(); atom->tag_check();
// if molecular system or user-requested, create global mapping of atoms // create global mapping of atoms
// zero nghost in case are adding new atoms to existing atoms // zero nghost in case are adding new atoms to existing atoms
if (atom->molecular || atom->map_user) { if (atom->map_style) {
atom->nghost = 0; atom->nghost = 0;
atom->map_init(); atom->map_init();
atom->map_set(); atom->map_set();

4
src/read_data.cpp
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@ -780,9 +780,9 @@ void ReadData::atoms()
atom->tag_check(); atom->tag_check();
// if molecular system or user-requested, create global mapping of atoms // create global mapping of atoms
if (atom->molecular || atom->map_user) { if (atom->map_style) {
atom->map_init(); atom->map_init();
atom->map_set(); atom->map_set();
} }

4
src/read_restart.cpp
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@ -501,9 +501,9 @@ void ReadRestart::command(int narg, char **arg)
atom->tag_check(); atom->tag_check();
// if molecular system or user-requested, create global mapping of atoms // create global mapping of atoms
if (atom->molecular || atom->map_user) { if (atom->map_style) {
atom->map_init(); atom->map_init();
atom->map_set(); atom->map_set();
} }

4
src/replicate.cpp
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@ -388,9 +388,9 @@ void Replicate::command(int narg, char **arg)
atom->tag_check(); atom->tag_check();
// if molecular system or user-requested, create global mapping of atoms // create global mapping of atoms
if (atom->molecular || atom->map_user) { if (atom->map_style) {
atom->map_init(); atom->map_init();
atom->map_set(); atom->map_set();
} }