Merge pull request #1587 from valleymouth/bug_nve (f4a98417) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_nve_kokkos.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -98,7 +98,7 @@ KOKKOS_INLINE_FUNCTION
		void FixNVEKokkos<DeviceType>::initial_integrate_rmass_item(int i) const
		{
		if (mask[i] & groupbit) {
		const double dtfm = dtf / rmass[type[i]];
		const double dtfm = dtf / rmass[i];
		v(i,0) += dtfm * f(i,0);
		v(i,1) += dtfm * f(i,1);
		v(i,2) += dtfm * f(i,2);
		@@ -154,7 +154,7 @@ KOKKOS_INLINE_FUNCTION
		void FixNVEKokkos<DeviceType>::final_integrate_rmass_item(int i) const
		{
		if (mask[i] & groupbit) {
		const double dtfm = dtf / rmass[type[i]];
		const double dtfm = dtf / rmass[i];
		v(i,0) += dtfm * f(i,0);
		v(i,1) += dtfm * f(i,1);
		v(i,2) += dtfm * f(i,2);