.. rst file which lists all members of the current module. They will be .. handled by the Sphinx autosummary extension. crys ==== .. Documentation string which may be at the top of the module. .. automodule:: pwtools.crys :no-members: :no-inherited-members: .. currentmodule:: pwtools.crys .. Links to members. .. autosummary:: :toctree: Angstrom FakeASEAtoms Structure Trajectory UnitsHandler _trans align_cart angle angles atoms2struct call_vmd_measure_gofr cc2cell cc2cell3d cc2celldm cell2cc cell2cc3d celldm2cc center_on_atom compress concatenate coord_trans coord_trans3d distances distances_traj grid_in_cell kgrid mean min_image_convention mix nearest_neighbors nearest_neighbors_from_dists nearest_neighbors_struct pbc_wrap pbc_wrap_coords pi populated_attrs recip_cell rmax_smith rmsd rpdf scell scell3d scell_mask smooth struct2atoms struct2traj tensor2voigt tensor2voigt3d velocity_traj vmd_measure_gofr voigt2tensor voigt2tensor3d volume_cc volume_cc3d volume_cell volume_cell3d