29 lines
784 B
Fortran
29 lines
784 B
Fortran
BEGIN_PROVIDER [double precision, int_erf_3_index, (mo_num,mo_num, mo_num)]
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&BEGIN_PROVIDER [double precision, int_erf_3_index_exc,(mo_num,mo_num, mo_num)]
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implicit none
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BEGIN_DOC
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! int_erf_3_index(i,j) = <ij|ij> = (ii|jj) with the erf interaction
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!
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! int_erf_3_index_exc(i,j) = <ij|ji> = (ij|ij) with the erf interaction
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END_DOC
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integer :: i,j,k,l
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double precision :: get_mo_two_e_integral_erf
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double precision :: integral
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do k = 1, mo_num
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do i = 1, mo_num
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do j = 1, mo_num
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l = j
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integral = get_mo_two_e_integral_erf(i,j,k,l,mo_integrals_erf_map)
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int_erf_3_index(j,i,k) = integral
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l = j
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integral = get_mo_two_e_integral_erf(i,j,l,k,mo_integrals_erf_map)
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int_erf_3_index_exc(j,i,k) = integral
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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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