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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-27 21:07:23 +02:00

prep for PR

This commit is contained in:
AbdAmmar 2022-12-22 14:42:38 +01:00
parent 3560133e9c
commit eee1fe8673

View File

@ -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)