From 5e6654cb9aa0c3aac6ca98f2128288e2c25af47b Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 23 Mar 2020 17:38:41 +0100 Subject: [PATCH] Export --- devel/import_integrals/export_integrals_mo.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/devel/import_integrals/export_integrals_mo.irp.f b/devel/import_integrals/export_integrals_mo.irp.f index e4cea9b..292a2bc 100644 --- a/devel/import_integrals/export_integrals_mo.irp.f +++ b/devel/import_integrals/export_integrals_mo.irp.f @@ -53,7 +53,7 @@ subroutine run integer :: n_integrals integer(key_kind) :: idx - double precision, external :: get_mo_two_e_integral + double precision, external :: get_two_e_integral allocate (A(mo_num,mo_num)) call ezfio_set_nuclei_nuclear_repulsion(nuclear_repulsion) @@ -67,7 +67,7 @@ subroutine run do k=1,mo_num do j=1,mo_num do i=1,mo_num - integral = get_mo_two_e_integral(i,j,k,l,mo_integrals_map) + integral = get_two_e_integral(i,j,k,l,mo_integrals_map) if (integral /= 0.d0) then write (iunit,'(4(I5,2X),E22.15)') i,j,k,l, integral endif