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quantum_package/src/Determinants/diagonalize_restart_and_save_all_states.irp.f

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2016-07-16 16:09:50 +02:00
program diag_and_save
implicit none
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_diag,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
end