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added other transposed gradients of AOs
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@ -139,3 +139,22 @@
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END_PROVIDER
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BEGIN_PROVIDER[double precision, aos_grad_in_r_array_transp_3, (3,n_points_final_grid,ao_num)]
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implicit none
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BEGIN_DOC
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! Transposed gradients
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!
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END_DOC
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integer :: i,j,m
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double precision :: aos_array(ao_num), r(3)
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double precision :: aos_grad_array(3,ao_num)
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do m = 1, 3
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do j = 1, ao_num
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do i = 1, n_points_final_grid
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aos_grad_in_r_array_transp_3(m,i,j) = aos_grad_in_r_array(j,i,m)
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enddo
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enddo
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enddo
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END_PROVIDER
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