diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 5533098318e30370a88403dbac1a6c9e6d76b2c6..680ae876b118a5817e007c47d8fbe88fbe83bbb5 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -790,7 +790,7 @@ void FixRigidSmall::initial_integrate(int vflag) which are added in when a new fcm/torque are calculated ------------------------------------------------------------------------- */ -void FixRigidSmall::apply_langevin_thermostat(int vflag) +void FixRigidSmall::apply_langevin_thermostat() { double gamma1,gamma2; @@ -865,6 +865,15 @@ void FixRigidSmall::enforce2d() } } +/* ---------------------------------------------------------------------- */ + +void FixRigidSmall::post_force(int vflag) +{ + if (langflag) apply_langevin_thermostat(); + if (earlyflag) compute_forces_and_torques(); +} + + /* ---------------------------------------------------------------------- */ void FixRigidSmall::compute_forces_and_torques() diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp index 0bc05c40851945a8f9d986602c2a659bbab05e36..53d013474104725d33b9f5ad8a4e83d33cd0d140 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.cpp +++ b/src/USER-OMP/fix_rigid_nh_omp.cpp @@ -237,7 +237,7 @@ void FixRigidNHOMP::initial_integrate(int vflag) void FixRigidNHOMP::compute_forces_and_torques() { - int ibody + int ibody; double * const * _noalias const x = atom->x; const dbl3_t * _noalias const f = (dbl3_t *) atom->f[0];