10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-07 06:33:49 +01:00
QuantumPackage/src/mo_optimization/save_energy.irp.f
2023-04-18 13:56:30 +02:00

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