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bi_ort_ints: combined

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Abdallah Ammar 2023-03-04 02:31:04 +01:00
parent ec082f641b
commit 6e7ca02ed1
1 changed files with 21 additions and 0 deletions
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21
src/bi_ort_ints/total_twoe_pot.irp.f
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@ -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) ] BEGIN_PROVIDER [double precision, ao_two_e_tc_tot, (ao_num, ao_num, ao_num, ao_num) ]