diff --git a/src/MESSAGE/fix_client_md.cpp b/src/MESSAGE/fix_client_md.cpp index 7482a33110..1ef103ec3b 100644 --- a/src/MESSAGE/fix_client_md.cpp +++ b/src/MESSAGE/fix_client_md.cpp @@ -158,10 +158,9 @@ void FixClientMD::min_setup(int vflag) void FixClientMD::post_force(int vflag) { - // energy and virial setup + // virial setup - if (vflag) v_setup(vflag); - else evflag = 0; + v_init(vflag); // STEP send every step // required fields: COORDS diff --git a/src/RIGID/fix_rigid_nh.cpp b/src/RIGID/fix_rigid_nh.cpp index 7e05c694c2..7fefdaebfe 100644 --- a/src/RIGID/fix_rigid_nh.cpp +++ b/src/RIGID/fix_rigid_nh.cpp @@ -565,8 +565,7 @@ void FixRigidNH::initial_integrate(int vflag) // virial setup before call to set_xv - if (vflag) v_setup(vflag); - else evflag = 0; + v_init(vflag); // remap simulation box by 1/2 step diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 354ef08dbb..cfefe285f3 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -591,8 +591,7 @@ void FixRigidNHSmall::initial_integrate(int vflag) // virial setup before call to set_xv - if (vflag) v_setup(vflag); - else evflag = 0; + v_init(vflag); // remap simulation box by 1/2 step