mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-16 01:28:39 +02:00
23 lines
543 B
Fortran
23 lines
543 B
Fortran
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BEGIN_PROVIDER [ double precision, delta_ij, (N_det,N_det,N_states) ]
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&BEGIN_PROVIDER [ double precision, second_order_pt_new, (N_states) ]
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implicit none
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BEGIN_DOC
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! Dressing matrix in N_det basis
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END_DOC
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integer :: i,j,m
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delta_ij = 0.d0
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call H_apply_mrpt(delta_ij,N_det)
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double precision :: accu
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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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accu += delta_ij(i,j,1) * psi_coef(i,1) * psi_coef(j,1)
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enddo
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write(*,'(1000(F16.10,x))')delta_ij(i,:,:)
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enddo
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print*, 'accu = ',accu
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second_order_pt_new(1) = accu
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END_PROVIDER
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