tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

change chi to chi0 in improper_harmonic_kokkos.cpp

Browse Source
This commit is contained in:
Evangelos Voyiatzis
2025-02-10 19:06:14 +02:00
committed by GitHub
parent 3f5c54e362
commit 0c80ec5e0d
1 changed files with 3 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/KOKKOS/improper_harmonic_kokkos.cpp
View File

@ -304,7 +304,7 @@ void ImproperHarmonicKokkos<DeviceType>::allocate()
int n = atom->nimpropertypes;
k_k = Kokkos::DualView<F_FLOAT*,DeviceType>("ImproperHarmonic::k",n+1);
k_chi = Kokkos::DualView<F_FLOAT*,DeviceType>("ImproperHarmonic::chi",n+1);
k_chi = Kokkos::DualView<F_FLOAT*,DeviceType>("ImproperHarmonic::chi0",n+1);
d_k = k_k.template view<DeviceType>();
d_chi = k_chi.template view<DeviceType>();
@ -322,7 +322,7 @@ void ImproperHarmonicKokkos<DeviceType>::coeff(int narg, char **arg)
int n = atom->nimpropertypes;
for (int i = 1; i <= n; i++) {
k_k.h_view[i] = k[i];
k_chi.h_view[i] = chi[i];
k_chi.h_view[i] = chi0[i];
}
k_k.modify_host();
@ -341,7 +341,7 @@ void ImproperHarmonicKokkos<DeviceType>::read_restart(FILE *fp)
int n = atom->nimpropertypes;
for (int i = 1; i <= n; i++) {
k_k.h_view[i] = k[i];
k_chi.h_view[i] = chi[i];
k_chi.h_view[i] = chi0[i];
}
k_k.modify_host();