9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-11 22:23:31 +01:00
qp2/src/tools/diagonalize_h.irp.f

24 lines
621 B
Fortran
Raw Normal View History

2019-01-25 11:39:31 +01:00
program diagonalize_h
implicit none
BEGIN_DOC
2019-01-29 23:10:00 +01:00
! Program that extracts the :option:`determinants n_states` lowest
! states of the Hamiltonian within the set of Slater determinants stored
! in the |EZFIO| directory.
2019-01-25 11:39:31 +01:00
!
2019-01-29 23:10:00 +01:00
! If :option:`determinants s2_eig` = |true|, it will retain only states
! which correspond to the desired value of
! :option:`determinants expected_s2`.
2019-01-25 11:39:31 +01:00
!
END_DOC
read_wf = .True.
touch read_wf
call routine
end
subroutine routine
implicit none
call diagonalize_CI
print*,'N_det = ',N_det
call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
end