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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11300 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-22 18:33:55 +00:00
parent b7eb7f3301
commit 41c5be7a8e
9 changed files with 54 additions and 34 deletions
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7
src/create_atoms.cpp
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@ -124,8 +124,11 @@ void CreateAtoms::command(int narg, char **arg)
} else if (strcmp(arg[iarg],"mol") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal create_atoms command");
int imol = atom->find_molecule(arg[iarg+1]);
if (imol == -1)
error->all(FLERR,"Molecule ID for create_atoms does not exist");
if (imol == -1) error->all(FLERR,"Molecule template ID for "
"create_atoms does not exist");
if (atom->molecules[imol]->nset > 1 && comm->me == 0)
error->warning(FLERR,"Molecule template for "
"create_atoms has multiple molecules");
mode = MOLECULE;
onemol = atom->molecules[imol];
molseed = force->inumeric(FLERR,arg[iarg+2]);