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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-13 16:25:47 +00:00
parent ea82e095bc
commit 8283788954
1 changed files with 6 additions and 3 deletions
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9
src/compute_atom_molecule.cpp
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@ -118,12 +118,14 @@ ComputeAtomMolecule(LAMMPS *lmp, int narg, char **arg) :
"calculate a per-atom array");
if (argindex[i] &&
argindex[i] > modify->fix[ifix]->size_peratom_cols)
error->all(FLERR,"Compute atom/molecule fix array is accessed out-of-range");
error->all(FLERR,
"Compute atom/molecule fix array is accessed out-of-range");
} else if (which[i] == VARIABLE) {
int ivariable = input->variable->find(ids[i]);
if (ivariable < 0)
error->all(FLERR,"Variable name for compute atom/molecule does not exist");
error->all(FLERR,
"Variable name for compute atom/molecule does not exist");
if (input->variable->atomstyle(ivariable) == 0)
error->all(FLERR,"Compute atom/molecule variable is not "
"atom-style variable");
@ -199,7 +201,8 @@ void ComputeAtomMolecule::init()
} else if (which[m] == VARIABLE) {
int ivariable = input->variable->find(ids[m]);
if (ivariable < 0)
error->all(FLERR,"Variable name for compute atom/molecule does not exist");
error->all(FLERR,
"Variable name for compute atom/molecule does not exist");
value2index[m] = ivariable;
} else value2index[m] = -1;