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https://github.com/LCPQ/quantum_package
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23 lines
467 B
Fortran
23 lines
467 B
Fortran
program print_energy
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implicit none
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read_wf = .true.
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touch read_wf
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call routine
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end
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subroutine routine
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implicit none
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integer :: i,j
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double precision :: accu,hij
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print*, 'psi_energy = ',psi_energy + nuclear_repulsion
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accu = 0.d0
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! do i = 1,N_det
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! do j = 1,N_det
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! call i_H_j(psi_det(1,1,j),psi_det(1,1,i),N_int,hij)
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! accu += psi_coef(i,1) * psi_coef(j,1) * hij
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! enddo
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! enddo
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! print*, 'accu = ',accu + nuclear_repulsion
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end
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