mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 15:13:48 +01:00
10 lines
276 B
Fortran
10 lines
276 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_casscf_energy(E(1:N_states))
|
||
|
|
call ezfio_set_casscf_energy_pt2(E(1:N_states)+pt2(1:N_states))
|
||
|
|
end
|