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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_coord_atom.cpp
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@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg != 4) error->all("Illegal compute coord/atom command");
if (narg != 4) error->all(FLERR,"Illegal compute coord/atom command");
double cutoff = atof(arg[3]);
cutsq = cutoff*cutoff;
@ -58,9 +58,9 @@ ComputeCoordAtom::~ComputeCoordAtom()
void ComputeCoordAtom::init()
{
if (force->pair == NULL)
error->all("Compute coord/atom requires a pair style be defined");
error->all(FLERR,"Compute coord/atom requires a pair style be defined");
if (sqrt(cutsq) > force->pair->cutforce)
error->all("Compute coord/atom cutoff is longer than pairwise cutoff");
error->all(FLERR,"Compute coord/atom cutoff is longer than pairwise cutoff");
// need an occasional full neighbor list
@ -75,7 +75,7 @@ void ComputeCoordAtom::init()
for (int i = 0; i < modify->ncompute; i++)
if (strcmp(modify->compute[i]->style,"coord/atom") == 0) count++;
if (count > 1 && comm->me == 0)
error->warning("More than one compute coord/atom");
error->warning(FLERR,"More than one compute coord/atom");
}
/* ---------------------------------------------------------------------- */