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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-26 00:50:29 +00:00
parent fbb475b9cd
commit 1f2a7add78
131 changed files with 1278 additions and 1496 deletions
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7
src/compute_pe_atom.cpp
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@ -66,7 +66,7 @@ ComputePEAtom::ComputePEAtom(LAMMPS *lmp, int narg, char **arg) :
ComputePEAtom::~ComputePEAtom()
{
memory->sfree(energy);
memory->destroy(energy);
}
/* ---------------------------------------------------------------------- */
@ -83,10 +83,9 @@ void ComputePEAtom::compute_peratom()
// needs to be atom->nmax in length
if (atom->nmax > nmax) {
memory->sfree(energy);
memory->destroy(energy);
nmax = atom->nmax;
energy = (double *)
memory->smalloc(nmax*sizeof(double),"pe/atom:energy");
memory->create(energy,nmax,"pe/atom:energy");
vector_atom = energy;
}