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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3481 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-03 17:45:22 +00:00
parent 2ac56e521f
commit 69d350af34
25 changed files with 1065 additions and 270 deletions
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6
src/compute_centro_atom.cpp
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@ -100,7 +100,7 @@ void ComputeCentroAtom::compute_peratom()
memory->sfree(centro);
nmax = atom->nmax;
centro = (double *)
memory->smalloc(nmax*sizeof(double),"compute/centro:centro");
memory->smalloc(nmax*sizeof(double),"centro/atom:centro");
scalar_atom = centro;
}
@ -137,9 +137,9 @@ void ComputeCentroAtom::compute_peratom()
memory->sfree(nearest);
maxneigh = jnum;
distsq = (double *) memory->smalloc(maxneigh*sizeof(double),
"compute/centro:distsq");
"centro/atom:distsq");
nearest = (int *) memory->smalloc(maxneigh*sizeof(int),
"compute/centro:nearest");
"centro/atom:nearest");
}
// loop over list of all neighbors within force cutoff