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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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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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6
src/compute_gyration_molecule.cpp
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@ -27,10 +27,10 @@ ComputeGyrationMolecule::ComputeGyrationMolecule(LAMMPS *lmp,
int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg != 3) error->all("Illegal compute gyration/molecule command");
if (narg != 3) error->all(FLERR,"Illegal compute gyration/molecule command");
if (atom->molecular == 0)
error->all("Compute gyration/molecule requires molecular atom style");
error->all(FLERR,"Compute gyration/molecule requires molecular atom style");
vector_flag = 1;
extvector = 0;
@ -93,7 +93,7 @@ void ComputeGyrationMolecule::init()
{
int ntmp = molecules_in_group(idlo,idhi);
if (ntmp != nmolecules)
error->all("Molecule count changed in compute gyration/molecule");
error->all(FLERR,"Molecule count changed in compute gyration/molecule");
}
/* ---------------------------------------------------------------------- */