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qp_plugins_scemama/devel/general_mrci/save_energy.irp.f

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2020-12-15 19:02:38 +01:00
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_general_mrci_energy(E(1:N_states))
call ezfio_set_general_mrci_energy_pt2(E(1:N_states)+pt2(1:N_states))
end