diff --git a/src/mp2.F b/src/mp2.F index 721b9a7472..468cce37c0 100644 --- a/src/mp2.F +++ b/src/mp2.F @@ -360,7 +360,11 @@ MODULE mp2 free_hfx_buffer=.TRUE. IF(calc_forces.AND.(.NOT.mp2_env%ri_mp2%free_hfx_buffer)) free_hfx_buffer=.FALSE. END IF - IF(qs_env%virial%pv_numer) free_hfx_buffer=.FALSE. + IF(qs_env%virial%pv_numer) THEN + ! in the case of numerical stress we don't have to free the HFX integrals + free_hfx_buffer=.FALSE. + mp2_env%ri_mp2%free_hfx_buffer=.FALSE. + END IF IF(free_hfx_buffer) THEN CALL timeset(routineN//"_free_hfx",handle2) CALL section_vals_get(hfx_sections,n_repetition=n_rep_hf,error=error)