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multiscale
lammps
Commits
2913d3da
Unverified
Commit
2913d3da
authored
7 years ago
by
Steve Plimpton
Committed by
GitHub
7 years ago
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Merge pull request #777 from lammps/fix_prop_atom
Fix bug in FixPropertyAtom
parents
4af14bec
415a55bc
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src/KOKKOS/fix_property_atom_kokkos.cpp
+1
-0
1 addition, 0 deletions
src/KOKKOS/fix_property_atom_kokkos.cpp
src/fix_property_atom.cpp
+2
-2
2 additions, 2 deletions
src/fix_property_atom.cpp
with
3 additions
and
2 deletions
src/KOKKOS/fix_property_atom_kokkos.cpp
+
1
−
0
View file @
2913d3da
...
...
@@ -31,6 +31,7 @@ FixPropertyAtomKokkos::FixPropertyAtomKokkos(LAMMPS *lmp, int narg, char **arg)
FixPropertyAtom
(
lmp
,
narg
,
arg
)
{
atomKK
=
(
AtomKokkos
*
)
atom
;
grow_arrays
(
atom
->
nmax
);
}
/* ----------------------------------------------------------------------
...
...
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src/fix_property_atom.cpp
+
2
−
2
View file @
2913d3da
...
...
@@ -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
...
...
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