Cartesian coordinates =================================== Cartesian ------------- The :class:`~chemcoord.Cartesian` class which is used to represent a molecule in cartesian coordinates. .. currentmodule:: chemcoord .. autosummary:: :toctree: src_Cartesian ~Cartesian xyz_functions --------------- A collection of functions operating on instances of :class:`~chemcoord.Cartesian`. .. currentmodule:: chemcoord .. autosummary:: :toctree: src_xyz_functions ~xyz_functions.interpolate ~xyz_functions.isclose ~xyz_functions.allclose ~xyz_functions.concat ~xyz_functions.to_multiple_xyz ~xyz_functions.read_multiple_xyz ~xyz_functions.write_molden ~xyz_functions.to_molden ~xyz_functions.read_molden ~xyz_functions.view ~xyz_functions.apply_grad_zmat_tensor ~xyz_functions.get_rotation_matrix ~xyz_functions.get_kabsch_rotation ~xyz_functions.orthonormalize_righthanded Symmetry --------- .. currentmodule:: chemcoord .. autosummary:: :toctree: src_PointGroupOperations ~PointGroupOperations .. autosummary:: :toctree: src_AsymmetricUnitCartesian ~AsymmetricUnitCartesian