This is the complete list of members for occ::core::MolecularAxisCalculator, including all inherited members.

apply_molecular_transformation(occ::qm::Wavefunction &wfn, const MolecularAxisResult &result)	occ::core::MolecularAxisCalculator	static
axis_method_to_string(AxisMethod method)	occ::core::MolecularAxisCalculator	static
calculate_axes(AxisMethod method, const std::vector< int > &axis_atoms={}) const	occ::core::MolecularAxisCalculator
calculate_bond_separation(int atom_i, int atom_j) const	occ::core::MolecularAxisCalculator
calculate_moi_axes() const	occ::core::MolecularAxisCalculator
calculate_neighcrys_axes(const std::vector< int > &axis_atoms) const	occ::core::MolecularAxisCalculator
calculate_pca_axes() const	occ::core::MolecularAxisCalculator
center_of_mass() const	occ::core::MolecularAxisCalculator
generate_neighcrys_info(const std::vector< int > &axis_atoms) const	occ::core::MolecularAxisCalculator
generate_neighcrys_labels() const	occ::core::MolecularAxisCalculator
MolecularAxisCalculator(const occ::qm::Wavefunction &wfn)	occ::core::MolecularAxisCalculator	explicit
string_to_axis_method(const std::string &method_str)	occ::core::MolecularAxisCalculator	static
write_neighcrys_axis_file(const std::string &filename, const NeighcrysAxisInfo &axis_info)	occ::core::MolecularAxisCalculator	static
write_oriented_xyz(const std::string &filename, const occ::qm::Wavefunction &wfn, const std::string &title="Oriented molecule from OCC")	occ::core::MolecularAxisCalculator	static