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Update fix_colvars_kokkos.cpp

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alphataubio
2024-11-08 18:01:50 -05:00
parent b74096b2c4
commit b830f7806e
1 changed files with 2 additions and 2 deletions
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src/KOKKOS/fix_colvars_kokkos.cpp
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@ -36,7 +36,7 @@ FixColvarsKokkos::FixColvarsKokkos(LAMMPS *lmp, int narg, char **arg) :
void FixColvarsKokkos::post_force(int vflag) void FixColvarsKokkos::post_force(int vflag)
{ {
atomKK->sync(Host,X_MASK|F_MASK); atomKK->sync(Host,X_MASK|F_MASK|TAG_MASK|IMAGE_MASK);
FixColvars::post_force(vflag); FixColvars::post_force(vflag);
atomKK->modified(Host,F_MASK); atomKK->modified(Host,F_MASK);
} }
@ -45,7 +45,7 @@ void FixColvarsKokkos::post_force(int vflag)
void FixColvarsKokkos::end_of_step() void FixColvarsKokkos::end_of_step()
{ {
if (store_forces) { if (store_forces) {
atomKK->sync(Host,F_MASK); atomKK->sync(Host,F_MASK|TAG_MASK);
FixColvars::end_of_step(); FixColvars::end_of_step();
} }
} }