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36 lines
862 B
Fortran
36 lines
862 B
Fortran
program print_mo_2e_integrals
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call run
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end
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subroutine run
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use map_module
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implicit none
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integer ::i,j,k,l
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provide mo_two_e_integrals_in_map
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complex*16 :: get_two_e_integral_complex, tmp_cmplx
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do i=1,mo_num
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do j=1,mo_num
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do k=1,mo_num
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do l=1,mo_num
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tmp_cmplx = get_two_e_integral_complex(i,j,k,l,mo_integrals_map,mo_integrals_map_2)
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if (cdabs(tmp_cmplx).gt. 1d-12) then
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print'(4(I4),2(E23.15))',i,j,k,l,tmp_cmplx
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endif
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enddo
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enddo
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enddo
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enddo
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! print*,'map1'
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! do i=0,mo_integrals_map%map_size
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! print*,i,mo_integrals_map%map(i)%value(:)
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! print*,i,mo_integrals_map%map(i)%key(:)
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! enddo
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! print*,'map2'
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! do i=0,mo_integrals_map_2%map_size
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! print*,i,mo_integrals_map_2%map(i)%value(:)
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! print*,i,mo_integrals_map_2%map(i)%key(:)
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! enddo
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end
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