Index A | C | D | F | G | I | K | L | M | N | O | P | R | S | T | U | V | W A add_new_results() (casm.tools.map.StructureMappingSearch method) archive (casm.tools.calc.handlers.ArchiveReportHandler attribute) (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) ArchiveReportHandler (class in casm.tools.calc.handlers) AseVaspTool (class in casm.tools.shared.ase_utils) C calc_id (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) calctype_settings_dir (casm.tools.shared.ase_utils.AseVaspTool attribute) captured_output() (in module casm.tools.shared.contexts) casm.tools module casm.tools.calc module casm.tools.calc.commands module casm.tools.calc.commands.main module casm.tools.calc.commands.status module casm.tools.calc.commands.submit module casm.tools.calc.commands.vasp module casm.tools.calc.handlers module casm.tools.calc.methods module casm.tools.calc.scripts module casm.tools.map module casm.tools.map.commands module casm.tools.map.commands.main module casm.tools.map.commands.search module casm.tools.map.commands.search2 module casm.tools.map.commands.write module casm.tools.map.methods module casm.tools.shared module casm.tools.shared.ase_utils module casm.tools.shared.contexts module casm.tools.shared.file_utils module casm.tools.shared.json_io module casm.tools.shared.structure_io module casm.tools.shared.text_io module CasmV1VaspReportHandler (class in casm.tools.calc.handlers) CasmVaspReportHandler (class in casm.tools.calc.handlers) chain_is_in_orbit() (in module casm.tools.map.methods) child (casm.tools.map.MappingSearchData attribute) child_atom_count (casm.tools.map.MappingSearchData property) child_atom_count_of_parent_types (casm.tools.map.MappingSearchData property) child_atom_frac (casm.tools.map.MappingSearchData property) child_atom_types (casm.tools.map.MappingSearchData property) child_supercell_size() (in module casm.tools.map.methods) compress() (in module casm.tools.shared.file_utils) config_relpath (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) D dump() (in module casm.tools.shared.json_io) F from_dict() (casm.tools.map.MappingSearchData static method) (casm.tools.map.StructureMappingSearchOptions static method) G get() (in module casm.tools.shared.json_io) get_script_path() (in module casm.tools.calc.scripts) I import_directory() (in module casm.tools.calc.methods) incar_path (casm.tools.shared.ase_utils.AseVaspTool attribute) is_calcdir() (casm.tools.calc.handlers.ArchiveReportHandler method) (casm.tools.calc.handlers.CasmV1VaspReportHandler method) (casm.tools.calc.handlers.CasmVaspReportHandler method) (casm.tools.calc.handlers.VaspArchiveReportHandler method) is_complete() (casm.tools.calc.handlers.ArchiveReportHandler method) (casm.tools.calc.handlers.CasmV1VaspReportHandler method) (casm.tools.calc.handlers.CasmVaspReportHandler method) (casm.tools.calc.handlers.VaspArchiveReportHandler method) is_equivalent_chain() (in module casm.tools.map.methods) K kpoints_path (casm.tools.shared.ase_utils.AseVaspTool attribute) L list_options() (in module casm.tools.calc.commands.status) M main() (in module casm.tools.calc.commands.main) (in module casm.tools.map.commands.main) make_ase_atoms() (in module casm.tools.shared.ase_utils) make_calculator() (casm.tools.shared.ase_utils.AseVaspTool method) make_casm_structure() (in module casm.tools.shared.ase_utils) make_chain_info() (in module casm.tools.map.methods) make_chain_orbit() (in module casm.tools.map.methods) make_child_supercell_info() (in module casm.tools.map.methods) make_child_superstructure() (in module casm.tools.map.methods) make_child_transformation_matrix_to_super() (in module casm.tools.map.methods) make_config_selection() (in module casm.tools.calc.commands.status) make_mapped_child_superstructure() (in module casm.tools.map.methods) make_parent_supercell_info() (in module casm.tools.map.methods) make_parser() (in module casm.tools.calc.commands.main) (in module casm.tools.map.commands.main) make_primitive_chain() (in module casm.tools.map.methods) make_primitive_chain_orbit() (in module casm.tools.map.methods) make_search2_parser() (in module casm.tools.map.commands.search2) make_search_parser() (in module casm.tools.map.commands.search) make_status_subparser() (in module casm.tools.calc.commands.status) make_submit_subparser() (in module casm.tools.calc.commands.submit) make_supercell_info() (in module casm.tools.map.methods) make_vasp_subparser() (in module casm.tools.calc.commands.vasp) make_write_parser() (in module casm.tools.map.commands.write) mappings (casm.tools.map.MappingSearchData attribute) MappingSearchData (class in casm.tools.map) max_atom_count_per_parent_unitcell (casm.tools.map.MappingSearchData property) min_atom_count_per_parent_unitcell (casm.tools.map.MappingSearchData property) module casm.tools casm.tools.calc casm.tools.calc.commands casm.tools.calc.commands.main casm.tools.calc.commands.status casm.tools.calc.commands.submit casm.tools.calc.commands.vasp casm.tools.calc.handlers casm.tools.calc.methods casm.tools.calc.scripts casm.tools.map casm.tools.map.commands casm.tools.map.commands.main casm.tools.map.commands.search casm.tools.map.commands.search2 casm.tools.map.commands.write casm.tools.map.methods casm.tools.shared casm.tools.shared.ase_utils casm.tools.shared.contexts casm.tools.shared.file_utils casm.tools.shared.json_io casm.tools.shared.structure_io casm.tools.shared.text_io move_options_to_history() (casm.tools.map.MappingSearchData method) N notify_if_non_primitive() (casm.tools.map.MappingSearchData method) O opt (casm.tools.map.StructureMappingSearch attribute) options (casm.tools.map.MappingSearchData attribute) options_history (casm.tools.map.MappingSearchData attribute) output_path() (casm.tools.calc.handlers.ArchiveReportHandler method) (casm.tools.calc.handlers.CasmV1VaspReportHandler method) (casm.tools.calc.handlers.CasmVaspReportHandler method) (casm.tools.calc.handlers.VaspArchiveReportHandler method) P parent_atom_frac (casm.tools.map.MappingSearchData property) parent_atom_types (casm.tools.map.MappingSearchData property) parent_prim (casm.tools.map.MappingSearchData attribute) parent_structure (casm.tools.map.MappingSearchData attribute) parent_supercell_factor_group_size() (in module casm.tools.map.methods) parent_supercell_size() (in module casm.tools.map.methods) pretty_json() (in module casm.tools.shared.json_io) print_desc() (in module casm.tools.calc.commands.status) (in module casm.tools.calc.commands.submit) (in module casm.tools.calc.commands.vasp) (in module casm.tools.map.commands.search) (in module casm.tools.map.commands.search2) (in module casm.tools.map.commands.write) print_stringIO() (in module casm.tools.shared.contexts) printpathstr() (in module casm.tools.shared.file_utils) (in module casm.tools.shared.json_io) (in module casm.tools.shared.text_io) R read_cascading() (in module casm.tools.shared.json_io) read_contents() (in module casm.tools.shared.json_io) read_optional() (in module casm.tools.shared.json_io) read_required() (in module casm.tools.shared.json_io) read_structure() (in module casm.tools.shared.structure_io) read_structure_traj() (in module casm.tools.shared.structure_io) read_structure_traj_using_ase() (in module casm.tools.shared.ase_utils) read_structure_using_ase() (in module casm.tools.shared.ase_utils) report() (casm.tools.calc.handlers.ArchiveReportHandler method) (casm.tools.calc.handlers.CasmV1VaspReportHandler method) (casm.tools.calc.handlers.CasmVaspReportHandler method) (casm.tools.calc.handlers.VaspArchiveReportHandler method) (casm.tools.shared.ase_utils.AseVaspTool method) run_search() (in module casm.tools.map.commands.search) (in module casm.tools.map.commands.search2) run_status() (in module casm.tools.calc.commands.status) run_submit() (in module casm.tools.calc.commands.submit) run_write() (in module casm.tools.map.commands.write) S safe_dump() (in module casm.tools.shared.json_io) safe_write() (in module casm.tools.shared.text_io) sentinel_name (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) settings (casm.tools.shared.ase_utils.AseVaspTool attribute) setup() (casm.tools.shared.ase_utils.AseVaspTool method) status() (casm.tools.calc.handlers.ArchiveReportHandler method) (casm.tools.calc.handlers.CasmV1VaspReportHandler method) (casm.tools.calc.handlers.CasmVaspReportHandler method) (casm.tools.calc.handlers.VaspArchiveReportHandler method) structure_relpath (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) StructureMappingSearch (class in casm.tools.map) StructureMappingSearchOptions (class in casm.tools.map) T tabulate_results() (casm.tools.map.StructureMappingSearch method) to_dict() (casm.tools.map.MappingSearchData method) (casm.tools.map.StructureMappingSearchOptions method) tool (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) U uncompress() (in module casm.tools.shared.file_utils) update (casm.tools.calc.handlers.CasmV1VaspReportHandler attribute) (casm.tools.calc.handlers.CasmVaspReportHandler attribute) (casm.tools.calc.handlers.VaspArchiveReportHandler attribute) uuids (casm.tools.map.MappingSearchData attribute) V validate() (casm.tools.map.StructureMappingSearch method) validate_atom_frac() (casm.tools.map.MappingSearchData method) validate_atom_types() (casm.tools.map.MappingSearchData method) validate_fix_parent() (casm.tools.map.MappingSearchData method) validate_forced_on() (casm.tools.map.MappingSearchData method) validate_n_atoms() (casm.tools.map.MappingSearchData method) vasp_import() (in module casm.tools.calc.commands.vasp) vasp_import_v1() (in module casm.tools.calc.commands.vasp) vasp_report() (in module casm.tools.calc.commands.vasp) vasp_setup() (in module casm.tools.calc.commands.vasp) VaspArchiveReportHandler (class in casm.tools.calc.handlers) W working_dir() (in module casm.tools.shared.contexts) (in module casm.tools.shared.file_utils) write_options_history() (casm.tools.map.StructureMappingSearch method) write_results() (casm.tools.map.StructureMappingSearch method) write_structure() (in module casm.tools.shared.structure_io) write_structure_traj() (in module casm.tools.shared.structure_io) write_structure_traj_using_ase() (in module casm.tools.shared.ase_utils) write_structure_using_ase() (in module casm.tools.shared.ase_utils)
