ICODE-ADC/lammps
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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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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_coord_atom.cpp
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@ -50,7 +50,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
ComputeCoordAtom::~ComputeCoordAtom()
{
memory->sfree(coordination);
memory->destroy(coordination);
}
/* ---------------------------------------------------------------------- */
@ -98,10 +98,9 @@ void ComputeCoordAtom::compute_peratom()
// grow coordination array if necessary
if (atom->nlocal > nmax) {
memory->sfree(coordination);
memory->destroy(coordination);
nmax = atom->nmax;
coordination = (double *)
memory->smalloc(nmax*sizeof(double),"coord/atom:coordination");
memory->create(coordination,nmax,"coord/atom:coordination");
vector_atom = coordination;
}