From eee1fe86733bb34628d5243f3fd7c9f2e98ca76a Mon Sep 17 00:00:00 2001 From: AbdAmmar Date: Thu, 22 Dec 2022 14:42:38 +0100 Subject: [PATCH] prep for PR --- src/bi_ort_ints/semi_num_ints_mo.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/bi_ort_ints/semi_num_ints_mo.irp.f b/src/bi_ort_ints/semi_num_ints_mo.irp.f index 89098676..a548ee62 100644 --- a/src/bi_ort_ints/semi_num_ints_mo.irp.f +++ b/src/bi_ort_ints/semi_num_ints_mo.irp.f @@ -178,8 +178,8 @@ BEGIN_PROVIDER [ double precision, int2_grad1_u12_ao_t, (n_points_final_grid, 3, integer :: i, j, ipoint do ipoint = 1, n_points_final_grid - do i = 1, mo_num - do j = 1, mo_num + do i = 1, ao_num + do j = 1, ao_num int2_grad1_u12_ao_t(ipoint,1,j,i) = int2_grad1_u12_ao(1,j,i,ipoint) int2_grad1_u12_ao_t(ipoint,2,j,i) = int2_grad1_u12_ao(2,j,i,ipoint) int2_grad1_u12_ao_t(ipoint,3,j,i) = int2_grad1_u12_ao(3,j,i,ipoint)