diff --git a/src/REPLICA/fix_pimd_langevin.cpp b/src/REPLICA/fix_pimd_langevin.cpp index a28bc9506b..cffaf327e4 100644 --- a/src/REPLICA/fix_pimd_langevin.cpp +++ b/src/REPLICA/fix_pimd_langevin.cpp @@ -1347,7 +1347,7 @@ void FixPIMDLangevin::compute_tote() void FixPIMDLangevin::compute_t_prim() { - t_prim = 1.5 * atom->natoms * np * force->boltz * temp - total_spring_energy / np; + t_prim = 1.5 * atom->natoms * np * force->boltz * temp - total_spring_energy * inverse_np; } /* ---------------------------------------------------------------------- */