| abc() const | mpqc::UnitCell | inline |
| atoms() const | mpqc::Molecule | |
| begin() const | mpqc::Molecule | inline |
| cast_shared_from_this_to() | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
| cast_shared_from_this_to() const | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
| class_key() | mpqc::DescribedClass | inlinestatic |
| class_key() const | mpqc::DescribedClass | inline |
| clusterables() const | mpqc::Molecule | inline |
| com() const | mpqc::Molecule | inline |
| core_electrons() const | mpqc::Molecule | |
| default_angles | mpqc::UnitCell | static |
| default_dimensions | mpqc::UnitCell | static |
| DescribedClass()=default | mpqc::DescribedClass | |
| end() const | mpqc::Molecule | inline |
| in_units_of(const std::string &units) override | mpqc::UnitCell | virtual |
| is_registered() | mpqc::DescribedClass | inlinestatic |
| keyval_ctor_registry() | mpqc::DescribedClass | inlinestatic |
| keyval_ctor_wrapper_type typedef | mpqc::DescribedClass | |
| mass() const | mpqc::Molecule | inline |
| message() | mpqc::utility::Observable< Molecule > | inlineprotected |
| messages_type typedef | mpqc::utility::Observable< Molecule > | |
| Molecule()=default | mpqc::Molecule | |
| Molecule(const Molecule &)=default | mpqc::Molecule | |
| Molecule(Molecule &&)=default | mpqc::Molecule | |
| Molecule(const KeyVal &kv) | mpqc::Molecule | explicit |
| Molecule(std::istream &file_stream, bool sort_input=true, Vector3d const &sort_origin=Vector3d::Zero(), std::array< Vector3d, 3 > frame={ {Vector3d{1, 0, 0}, Vector3d{0, 1, 0}, Vector3d{0, 0, 1}}}) | mpqc::Molecule | |
| Molecule(std::vector< AtomBasedClusterable > c, bool sort_input=true) | mpqc::Molecule | |
| Molecule(const std::vector< Atom > &atoms) | mpqc::Molecule | explicit |
| natoms() const | mpqc::Molecule | |
| nclusters() const | mpqc::Molecule | inline |
| nuclear_repulsion_energy(const Vector3i &RJ_max) const | mpqc::UnitCell | |
| mpqc::Molecule::nuclear_repulsion_energy() const | mpqc::Molecule | |
| num_periodic_dimensions() const | mpqc::UnitCell | |
| operator=(Molecule &&)=default | mpqc::Molecule | |
| operator=(const Molecule &)=default | mpqc::Molecule | |
| read_xyz(std::istream &file, const std::array< Vector3d, 3 > &frame={ {{1, 0, 0}, {0, 1, 0}, {0, 0, 1}}}) | mpqc::Molecule | static |
| register_keyval_ctor() | mpqc::DescribedClass | inlinestatic |
| register_message(Observer *observer, std::function< void()> message) const | mpqc::utility::Observable< Molecule > | inline |
| right_angle | mpqc::UnitCell | static |
| set_mass(double mass) | mpqc::Molecule | inline |
| mpqc::shared_from_this() | mpqc::enable_shared_from_this< DescribedClass > | inline |
| mpqc::shared_from_this() const | mpqc::enable_shared_from_this< DescribedClass > | inline |
| Observable< Molecule >::shared_from_this() | mpqc::enable_shared_from_this< Molecule > | inline |
| shared_from_this_possible() const | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
| sort_from_point(Vector3d const &point) | mpqc::Molecule | |
| total_atomic_number() const | mpqc::Molecule | inline |
| type_to_keyval_ctor(const std::string &type_name) | mpqc::DescribedClass | static |
| UnitCell()=default | mpqc::UnitCell | |
| UnitCell(const KeyVal &kv) | mpqc::UnitCell | |
| UnitCell(const std::vector< Atom > &atoms, const Vector3d &abc, const Vector3d &ɑβɣ=Vector3d{default_angles.data()}) | mpqc::UnitCell | |
| UnitCell(const std::vector< Atom > &atoms, const std::array< Vector3d, 3 > &v_abc) | mpqc::UnitCell | |
| UnitCell(std::istream &file_stream) | mpqc::UnitCell | |
| v_abc() const | mpqc::UnitCell | inline |
| ~DescribedClass() | mpqc::DescribedClass | inlinevirtual |
| mpqc::~enable_shared_from_this()=default | mpqc::enable_shared_from_this< DescribedClass > | virtual |
| Observable< Molecule >::~enable_shared_from_this()=default | mpqc::enable_shared_from_this< Molecule > | virtual |
| ~Molecule()=default | mpqc::Molecule | virtual |
| ~UnitCell()=default | mpqc::UnitCell | virtual |
| ~virt_base_of_enable_shared_from_this()=default | mpqc::detail::virt_base_of_enable_shared_from_this | virtual |
| ɑβɣ() const | mpqc::UnitCell | inline |
