mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-18 02:25:19 +02:00
14 lines
246 B
Fortran
14 lines
246 B
Fortran
|
subroutine save_energy(E,ET)
|
||
|
|
implicit none
|
||
|
|
BEGIN_DOC
|
||
|
|
! Saves the energy in |EZFIO|.
|
||
|
|
END_DOC
|
||
|
|
double precision, intent(in) :: E, ET
|
||
|
|
call ezfio_set_ccsd_energy(E)
|
||
|
|
if (ET /= 0.d0) then
|
||
|
|
call ezfio_set_ccsd_energy_t(E+ET)
|
||
|
|
endif
|
||
|
|
end
|
||
|
|
|
||
|
|
|