mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 06:23:37 +01:00
37 lines
923 B
Fortran
37 lines
923 B
Fortran
program print_ci_vectors
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Print the ground state wave function stored in the |EZFIO| directory
|
|
! in the intermediate normalization.
|
|
!
|
|
! It also prints a lot of information regarding the excitation
|
|
! operators from the reference determinant ! and a first-order
|
|
! perturbative analysis of the wave function.
|
|
!
|
|
! If the wave function strongly deviates from the first-order analysis,
|
|
! something funny is going on :)
|
|
END_DOC
|
|
|
|
|
|
! this has to be done in order to be sure that N_det, psi_det and
|
|
! psi_coef are the wave function stored in the |EZFIO| directory.
|
|
read_wf = .True.
|
|
touch read_wf
|
|
call routine
|
|
end
|
|
|
|
subroutine routine
|
|
implicit none
|
|
integer :: i,k
|
|
integer :: degree
|
|
call print_energy_components
|
|
do i = 1, N_det
|
|
print *, 'Determinant ', i
|
|
call debug_det(psi_det(1,1,i),N_int)
|
|
print '(4E20.12,X)', (psi_coef(i,k), k=1,N_states)
|
|
print *, ''
|
|
print *, ''
|
|
enddo
|
|
|
|
end
|