ICODE-ADC/lammps
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Add copymode flag

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This commit is contained in:
Stan Gerald Moore
2021-05-14 12:43:02 -06:00
parent a93ec125a4
commit 117b6e2a80
2 changed files with 7 additions and 0 deletions
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3
src/KOKKOS/pair_table_kokkos.cpp
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@ -117,6 +117,8 @@ void PairTableKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
d_cutsq = d_table->cutsq;
// loop over neighbors of my atoms
copymode = 1;
EV_FLOAT ev;
if (atom->ntypes > MAX_TYPES_STACKPARAMS) {
if (neighflag == FULL) {
@ -182,6 +184,7 @@ void PairTableKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
if (vflag_fdotr) pair_virial_fdotr_compute(this);
copymode = 0;
}
template<class DeviceType>

4
src/KOKKOS/pair_table_rx_kokkos.cpp
View File

@ -654,6 +654,8 @@ void PairTableRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
d_cutsq = d_table->cutsq;
// loop over neighbors of my atoms
copymode = 1;
const int ntotal = atom->nlocal + atom->nghost;
if (ntotal > (int)mixWtSite1.extent(0)) {
mixWtSite1old = Kokkos::View<double*, DeviceType>("PairTableRXKokkos::mixWtSite1old", ntotal);
@ -793,6 +795,8 @@ void PairTableRXKokkos<DeviceType>::compute_style(int eflag_in, int vflag_in)
k_vatom.template modify<DeviceType>();
k_vatom.template sync<LMPHostType>();
}
copymode = 0;
}
template<class DeviceType>