Merge pull request #1563 from stanmoore1/kk_setforce (0a90032b) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_setforce_kokkos.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -47,6 +47,7 @@ FixSetForceKokkos<DeviceType>::FixSetForceKokkos(LAMMPS lmp, int narg, char *a

		memory->destroy(sforce);
		memoryKK->create_kokkos(k_sforce,sforce,maxatom,3,"setforce:sforce");
		d_sforce = k_sforce.view<DeviceType>();
		}

		/* ---------------------------------------------------------------------- */
		@@ -103,6 +104,7 @@ void FixSetForceKokkos<DeviceType>::post_force(int vflag)
		maxatom = atom->nmax;
		memoryKK->destroy_kokkos(k_sforce,sforce);
		memoryKK->create_kokkos(k_sforce,sforce,maxatom,3,"setforce:sforce");
		d_sforce = k_sforce.view<DeviceType>();
		}

		foriginal[0] = foriginal[1] = foriginal[2] = 0.0;