Fix unit conversion

cp2k · Mar 3, 2021 · 699782b · 699782b
1 parent 8be8001
commit 699782b
Showing 1 changed file with 2 additions and 6 deletions.
diff --git a/src/qs_kind_types.F b/src/qs_kind_types.F
@@ -1663,17 +1663,13 @@ SUBROUTINE read_qs_kind(qs_kind, kind_section, para_env, force_env_section, no_f
          qs_kind%covalent_radius = ptable(z)%covalent_radius*bohr
          CALL section_vals_val_get(kind_section, i_rep_section=k_rep, &
                                    keyword_name="COVALENT_RADIUS", r_val=r)
-         IF (r > 0.0_dp) THEN
-            qs_kind%covalent_radius = r*bohr
-         END IF
+         IF (r > 0.0_dp) qs_kind%covalent_radius = r
 
          ! Assign atomic van der Waals radius
          qs_kind%vdw_radius = ptable(z)%vdw_radius*bohr
          CALL section_vals_val_get(kind_section, i_rep_section=k_rep, &
                                    keyword_name="VDW_RADIUS", r_val=r)
-         IF (r > 0.0_dp) THEN
-            qs_kind%vdw_radius = r*bohr
-         END IF
+         IF (r > 0.0_dp) qs_kind%vdw_radius = r
 
          ! Assign atom dependent defaults, only H special case
          CALL section_vals_val_get(kind_section, i_rep_section=k_rep, n_rep_val=i, &