Fix forces output with REFTRAJ

cp2k · Sep 7, 2023 · e428996 · e428996
1 parent 1f99e25
commit e428996
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/motion/integrator.F b/src/motion/integrator.F
@@ -1655,7 +1655,9 @@ SUBROUTINE reftraj(md_env)
       ! Task to perform on the reference trajectory
       ! Compute energy and forces
       ![NB] let reftraj work with force mixing which does not have consistent energies and forces
- CALL force_env_calc_energy_force(force_env, calc_force=reftraj_env%info%eval_forces, eval_energy_forces=reftraj_env%info%eval_EF, &
+      CALL force_env_calc_energy_force(force_env, &
+                                       calc_force=(reftraj_env%info%eval_forces .OR. reftraj_env%info%eval_ef), &
+                                       eval_energy_forces=reftraj_env%info%eval_ef, &
                                        require_consistent_energy_force=.FALSE.)
 
       ! Metadynamics