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16 lines
494 B
Fortran
16 lines
494 B
Fortran
program test
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implicit none
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integer :: i,j,k,l
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double precision :: accu,accu2,get_mo_bielec_integral,accu3
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accu = 0.d0
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accu3 = 0.d0
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do i = 1, elec_beta_num
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do j = 1, elec_beta_num
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accu += (2.d0 * get_mo_bielec_integral(i,j,i,j,mo_integrals_map) - get_mo_bielec_integral(i,j,j,i,mo_integrals_map) )
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accu3 += (2.d0 * mo_bielec_integral_jj(i,j) - mo_bielec_integral_jj_exchange(i,j) )
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enddo
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enddo
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print *,'closed EE 1 : ',accu
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print *,'closed EE 2 : ',accu3
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end
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