Commit 179b5071 authored by Denis Taniguchi's avatar Denis Taniguchi
Browse files

Fixing bug in nve/kk when using rmass.

parent 9bedd0d0

src/KOKKOS/fix_nve_kokkos.cpp

+1 −1
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);

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