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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15283 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-12 14:50:23 +00:00
parent 2812b10032
commit dfbecf047f
3 changed files with 6 additions and 6 deletions
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4
src/angle.cpp
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@ -98,12 +98,12 @@ void Angle::ev_setup(int eflag, int vflag)
if (eflag_atom && atom->nmax > maxeatom) { if (eflag_atom && atom->nmax > maxeatom) {
maxeatom = atom->nmax; maxeatom = atom->nmax;
memory->destroy(eatom); memory->destroy(eatom);
memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); memory->create(eatom,comm->nthreads*maxeatom,"angle:eatom");
} }
if (vflag_atom && atom->nmax > maxvatom) { if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax; maxvatom = atom->nmax;
memory->destroy(vatom); memory->destroy(vatom);
memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); memory->create(vatom,comm->nthreads*maxvatom,6,"angle:vatom");
} }
// zero accumulators // zero accumulators

4
src/dihedral.cpp
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@ -98,12 +98,12 @@ void Dihedral::ev_setup(int eflag, int vflag)
if (eflag_atom && atom->nmax > maxeatom) { if (eflag_atom && atom->nmax > maxeatom) {
maxeatom = atom->nmax; maxeatom = atom->nmax;
memory->destroy(eatom); memory->destroy(eatom);
memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); memory->create(eatom,comm->nthreads*maxeatom,"dihedral:eatom");
} }
if (vflag_atom && atom->nmax > maxvatom) { if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax; maxvatom = atom->nmax;
memory->destroy(vatom); memory->destroy(vatom);
memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); memory->create(vatom,comm->nthreads*maxvatom,6,"dihedral:vatom");
} }
// zero accumulators // zero accumulators

4
src/improper.cpp
View File

@ -96,12 +96,12 @@ void Improper::ev_setup(int eflag, int vflag)
if (eflag_atom && atom->nmax > maxeatom) { if (eflag_atom && atom->nmax > maxeatom) {
maxeatom = atom->nmax; maxeatom = atom->nmax;
memory->destroy(eatom); memory->destroy(eatom);
memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); memory->create(eatom,comm->nthreads*maxeatom,"improper:eatom");
} }
if (vflag_atom && atom->nmax > maxvatom) { if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax; maxvatom = atom->nmax;
memory->destroy(vatom); memory->destroy(vatom);
memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); memory->create(vatom,comm->nthreads*maxvatom,6,"improper:vatom");
} }
// zero accumulators // zero accumulators