diff --git a/src/REPLICA/fix_pimd_langevin.cpp b/src/REPLICA/fix_pimd_langevin.cpp index c6886fbed7..47a710cabf 100644 --- a/src/REPLICA/fix_pimd_langevin.cpp +++ b/src/REPLICA/fix_pimd_langevin.cpp @@ -696,6 +696,7 @@ void FixPIMDLangevin::post_force(int /*flag*/) inter_replica_comm(x); spring_force(); compute_spring_energy(); + compute_t_prim(); if (mapflag) { for (int i = 0; i < nlocal; i++) { domain->unmap_inv(x[i], image[i]); } }