1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-10-05 15:56:00 +02:00
qp_plugins_scemama/devel/ccsd_gpu/save_energy.irp.f

14 lines
246 B
FortranFixed
Raw Normal View History

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