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prep for PR

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AbdAmmar 2022-12-22 14:42:38 +01:00
parent 3560133e9c
commit eee1fe8673
1 changed files with 2 additions and 2 deletions
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src/bi_ort_ints/semi_num_ints_mo.irp.f
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@ -178,8 +178,8 @@ BEGIN_PROVIDER [ double precision, int2_grad1_u12_ao_t, (n_points_final_grid, 3,
integer :: i, j, ipoint integer :: i, j, ipoint
do ipoint = 1, n_points_final_grid do ipoint = 1, n_points_final_grid
do i = 1, mo_num do i = 1, ao_num
do j = 1, mo_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,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,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) int2_grad1_u12_ao_t(ipoint,3,j,i) = int2_grad1_u12_ao(3,j,i,ipoint)