From dd9e322d3be5efbcf5a0c196ad7b3bca33b16f5d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Wed, 8 Jul 2026 08:41:21 +0200 Subject: [PATCH] Fix conventions in libgint_wrapper.F (#5552) --- src/libgint_wrapper.F | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/libgint_wrapper.F b/src/libgint_wrapper.F index c2629af9e2..1c59153860 100644 --- a/src/libgint_wrapper.F +++ b/src/libgint_wrapper.F @@ -36,6 +36,8 @@ MODULE libGint_wrapper #include "./base/base_uses.f90" IMPLICIT NONE PRIVATE + +#if(__LIBGINT) INTEGER, ALLOCATABLE, DIMENSION(:), SAVE :: first_set_of_atom TYPE(bra_t), TARGET, SAVE :: bra, ket LOGICAL, SAVE :: first_call = .TRUE. @@ -43,6 +45,7 @@ MODULE libGint_wrapper !$OMP THREADPRIVATE( first_set_of_atom, first_call ) !$OMP THREADPRIVATE( bra,ket ) !$OMP THREADPRIVATE( libGint_handle ) +#endif PUBLIC :: cp_libGint_init, libGint_update_env, libGint_set_density, libGint_coulomb4, & libGint_update_fock_matrix, libGint_get_fock_matrix