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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-05-31 16:33:07 +00:00
parent 7e7450948c
commit 876b033ea8
96 changed files with 170 additions and 159 deletions
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4
src/USER-DPD/compute_dpd_atom.cpp
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@ -78,15 +78,15 @@ void ComputeDpdAtom::compute_peratom()
double *uCond = atom->uCond;
double *uMech = atom->uMech;
double *dpdTheta = atom->dpdTheta;
int nlocal = atom->nlocal;
int *mask = atom->mask;
if (nlocal > nmax) {
if (atom->nmax > nmax) {
memory->destroy(dpdAtom);
nmax = atom->nmax;
memory->create(dpdAtom,nmax,size_peratom_cols,"dpd/atom:dpdAtom");
array_atom = dpdAtom;
}
const int nlocal = atom->nlocal;
for (int i = 0; i < nlocal; i++){
if (mask[i] & groupbit){
dpdAtom[i][0] = uCond[i];