allomorph.init_struct.gen_bnp_cs ================================ .. py:module:: allomorph.init_struct.gen_bnp_cs .. autoapi-nested-parse:: Generate hard core-shell BNP structures. Attributes ---------- .. autoapisummary:: allomorph.init_struct.gen_bnp_cs.logger Functions --------- .. autoapisummary:: allomorph.init_struct.gen_bnp_cs.gen_hard_core_shell allomorph.init_struct.gen_bnp_cs.write_hard_core_shell Module Contents --------------- .. py:data:: logger .. py:function:: gen_hard_core_shell(shell_atoms, core_atoms, del_cutoff) Generate a hard core-shell structure by combining shell and core atoms. Shell atoms overlapping with core atoms within del_cutoff are deleted. .. py:function:: write_hard_core_shell(replace=False, vis=False, ele_dict=None) Orchestrates the generation of hard core-shell BNPs. Iterates through elements, sizes, and shapes.