From 6e7ca02ed161ef5ae5de667cf33971b8ba117ea1 Mon Sep 17 00:00:00 2001 From: Abdallah Ammar Date: Sat, 4 Mar 2023 02:31:04 +0100 Subject: [PATCH] bi_ort_ints: combined --- src/bi_ort_ints/total_twoe_pot.irp.f | 21 +++++++++++++++++++++ 1 file changed, 21 insertions(+) diff --git a/src/bi_ort_ints/total_twoe_pot.irp.f b/src/bi_ort_ints/total_twoe_pot.irp.f index e74c6d2a..78047d1b 100644 --- a/src/bi_ort_ints/total_twoe_pot.irp.f +++ b/src/bi_ort_ints/total_twoe_pot.irp.f @@ -1,4 +1,25 @@ + +! --- + +BEGIN_PROVIDER [double precision, ao_two_e_vartc_tot, (ao_num, ao_num, ao_num, ao_num) ] + + integer :: i, j, k, l + + provide j1b_type + provide mo_r_coef mo_l_coef + + do j = 1, ao_num + do l = 1, ao_num + do i = 1, ao_num + do k = 1, ao_num + ao_two_e_vartc_tot(k,i,l,j) = ao_vartc_int_chemist(k,i,l,j) + enddo + enddo + enddo + enddo + +END_PROVIDER ! --- BEGIN_PROVIDER [double precision, ao_two_e_tc_tot, (ao_num, ao_num, ao_num, ao_num) ]