37 lines
924 B
Fortran
37 lines
924 B
Fortran
program print_ci_vectors
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implicit none
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BEGIN_DOC
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! Print the ground state wave function stored in the |EZFIO| directory
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! in the intermediate normalization.
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!
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! It also prints a lot of information regarding the excitation
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! operators from the reference determinant ! and a first-order
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! perturbative analysis of the wave function.
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!
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! If the wave function strongly deviates from the first-order analysis,
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! something funny is going on :)
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END_DOC
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! this has to be done in order to be sure that N_det, psi_det and
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! psi_coef are the wave function stored in the |EZFIO| directory.
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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,k
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integer :: degree
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call print_energy_components
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do i = 1, N_det
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print *, 'Determinant ', i
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call debug_det(psi_det(1,1,i),N_int)
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print '(4ES20.12,X)', (psi_coef(i,k), k=1,N_states)
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print *, ''
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print *, ''
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enddo
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end
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