energy | molfile_qm_wavefunction_t | |
excitation | molfile_qm_wavefunction_t | |
info | molfile_qm_wavefunction_t | |
multiplicity | molfile_qm_wavefunction_t | |
occupancies | molfile_qm_wavefunction_t | |
orbital_energies | molfile_qm_wavefunction_t | |
orbital_ids | molfile_qm_wavefunction_t | |
spin | molfile_qm_wavefunction_t | |
type | molfile_qm_wavefunction_t | |
wave_coeffs | molfile_qm_wavefunction_t | |