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qp_plugins_scemama/devel/ccsd_gpu/save_energy.irp.f

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2023-07-16 09:54:58 +02:00
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