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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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8
src/compute_property_molecule.cpp
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@ -26,10 +26,10 @@ ComputePropertyMolecule::
ComputePropertyMolecule(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg < 4) error->all("Illegal compute property/molecule command");
if (narg < 4) error->all(FLERR,"Illegal compute property/molecule command");
if (atom->molecular == 0)
error->all("Compute property/molecule requires molecular atom style");
error->all(FLERR,"Compute property/molecule requires molecular atom style");
nvalues = narg - 3;
@ -43,7 +43,7 @@ ComputePropertyMolecule(LAMMPS *lmp, int narg, char **arg) :
pack_choice[i] = &ComputePropertyMolecule::pack_mol;
else if (strcmp(arg[iarg],"count") == 0)
pack_choice[i] = &ComputePropertyMolecule::pack_count;
else error->all("Invalid keyword in compute property/molecule command");
else error->all(FLERR,"Invalid keyword in compute property/molecule command");
}
// setup molecule-based data
@ -93,7 +93,7 @@ void ComputePropertyMolecule::init()
{
int ntmp = molecules_in_group(idlo,idhi);
if (ntmp != nmolecules)
error->all("Molecule count changed in compute property/molecule");
error->all(FLERR,"Molecule count changed in compute property/molecule");
}
/* ---------------------------------------------------------------------- */