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qp2/src/fci/save_energy.irp.f
2019-01-25 11:39:31 +01:00

10 lines
270 B
Fortran

subroutine save_energy(E,pt2)
implicit none
BEGIN_DOC
! Saves the energy in |EZFIO|.
END_DOC
double precision, intent(in) :: E(N_states), pt2(N_states)
call ezfio_set_fci_energy(E(1:N_states))
call ezfio_set_fci_energy_pt2(E(1:N_states)+pt2(1:N_states))
end