RI-HFX: initialize libint independently of HFX

cp2k · Jul 21, 2020 · 7c9713b · 7c9713b
1 parent d15f8a6
commit 7c9713b
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/src/hfx_types.F b/src/hfx_types.F
@@ -1212,6 +1212,9 @@ SUBROUTINE hfx_ri_init(ri_data, qs_kind_set, particle_set, atomic_kind_set, para
 
       CALL timeset(routineN, handle)
 
+      ! initialize libint
+      CALL cp_libint_static_init()
+
       NULLIFY (ri_aux_basis_set, qs_kind)
 
       natom = SIZE(particle_set)
@@ -1449,6 +1452,9 @@ SUBROUTINE hfx_ri_release(ri_data)
 
       CALL timeset(routineN, handle)
 
+      ! cleanup libint
+      CALL cp_libint_static_cleanup()
+
       CALL hfx_ri_write_stats(ri_data)
 
       IF (ASSOCIATED(ri_data%pgrid)) THEN