ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fix bug in fix_property_atom

Browse Source
This commit is contained in:
Stan Moore
2018-01-17 10:41:56 -07:00
parent e1e6825eb2
commit 415a55bc3e
2 changed files with 3 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
src/KOKKOS/fix_property_atom_kokkos.cpp
View File

@ -31,6 +31,7 @@ FixPropertyAtomKokkos::FixPropertyAtomKokkos(LAMMPS *lmp, int narg, char **arg)
FixPropertyAtom(lmp, narg, arg) FixPropertyAtom(lmp, narg, arg)
{ {
atomKK = (AtomKokkos *) atom; atomKK = (AtomKokkos *) atom;
grow_arrays(atom->nmax);
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------

4
src/fix_property_atom.cpp
View File

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