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Fix conventions in libgint_wrapper.F (#5552)

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Ole Schütt 2026-07-08 08:41:21 +02:00 • committed by GitHub
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commit dd9e322d3b
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src/libgint_wrapper.F
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@ -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