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qp_plugins_scemama/devel/ccsd_gpu/energy.irp.f
2023-08-04 16:54:48 +02:00

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subroutine det_energy(det,energy)
implicit none
integer(bit_kind), intent(in) :: det
double precision, intent(out) :: energy
double precision, external :: diag_H_mat_elem
energy = diag_H_mat_elem(det,N_int) + nuclear_repulsion
end