Now get_energy_decomposition returns e_nuc, e_1e, e_coul, e_otx/e_otxc, e_otc, e_ncwfn, but if the energy is computed with a hybrid functional, it returns the properly scaled e_otx/e_otxc, e_otc, e_ncwfn terms such that the energy of each state is the sum of all elements returned.
Note that get_energy_decomposition for non-hybrid functional returns the full e_ncwfn and the energy of each state is equal to the sum of elements except e_ncwfn (prior behavior).
Address #65.
Now
get_energy_decompositionreturnse_nuc,e_1e,e_coul,e_otx/e_otxc,e_otc,e_ncwfn, but if the energy is computed with a hybrid functional, it returns the properly scalede_otx/e_otxc,e_otc,e_ncwfnterms such that the energy of each state is the sum of all elements returned.Note that
get_energy_decompositionfor non-hybrid functional returns the fulle_ncwfnand the energy of each state is equal to the sum of elements excepte_ncwfn(prior behavior).