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Merge pull request #777 from lammps/fix_prop_atom

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Fix bug in FixPropertyAtom
This commit is contained in:
Steve Plimpton
2018-02-02 14:39:42 -07:00
committed by GitHub
parent 4af14becb5 415a55bc3e
commit 2913d3da60
2 changed files with 3 additions and 2 deletions
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1
src/KOKKOS/fix_property_atom_kokkos.cpp
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@ -31,6 +31,7 @@ FixPropertyAtomKokkos::FixPropertyAtomKokkos(LAMMPS *lmp, int narg, char **arg)
FixPropertyAtom(lmp, narg, arg)
{
atomKK = (AtomKokkos *) atom;
grow_arrays(atom->nmax);
}
/* ----------------------------------------------------------------------

4
src/fix_property_atom.cpp
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@ -134,6 +134,8 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
// register with Atom class
nmax_old = 0;
if (!lmp->kokkos)
grow_arrays(atom->nmax);
atom->add_callback(0);
atom->add_callback(1);
if (border) atom->add_callback(2);
@ -189,8 +191,6 @@ int FixPropertyAtom::setmask()
void FixPropertyAtom::init()
{
grow_arrays(atom->nmax);
// error if atom style has changed since fix was defined
// don't allow this b/c user could change to style that defines molecule,q