1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-11-07 14:43:41 +01:00
qp_plugins_scemama/devel/casscf/save_energy.irp.f

10 lines
276 B
FortranFixed
Raw Normal View History

2020-10-26 13:45:08 +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_casscf_energy(E(1:N_states))
call ezfio_set_casscf_energy_pt2(E(1:N_states)+pt2(1:N_states))
end