httk.atomistic.supercellutils module¶

class httk.atomistic.supercellutils.StructureSupercellPlugin[source]¶

Bases: httk.core.httkobject.HttkPlugin

cubic(tolerance=None, max_search_cells=1000)[source]¶

general(transformation, max_search_cells=20, max_atoms=1000)[source]¶

orthogonal(tolerance=None, max_search_cells=1000)[source]¶

plugin_init(struct)[source]¶

httk.atomistic.supercellutils.build_cubic_supercell(structure, tolerance=None, max_search_cells=1000)[source]¶

httk.atomistic.supercellutils.build_orthogonal_supercell(structure, tolerance=None, max_search_cells=1000, ortho=[True, True, True])[source]¶

httk.atomistic.supercellutils.build_supercell_old(structure, transformation, max_search_cells=1000)[source]¶

httk.atomistic.supercellutils.cubic_supercell_transformation(structure, tolerance=None, max_search_cells=1000)[source]¶

httk.atomistic.supercellutils.orthogonal_supercell_transformation(structure, tolerance=None, ortho=[True, True, True])[source]¶