pymatgen.alchemy package
Subpackages
Submodules
- pymatgen.alchemy.filters module
- pymatgen.alchemy.materials module
TransformedStructure
TransformedStructure.append_filter()
TransformedStructure.append_transformation()
TransformedStructure.as_dict()
TransformedStructure.extend_transformations()
TransformedStructure.from_cif_string()
TransformedStructure.from_dict()
TransformedStructure.from_poscar_string()
TransformedStructure.from_snl()
TransformedStructure.get_vasp_input()
TransformedStructure.redo_next_change()
TransformedStructure.set_parameter()
TransformedStructure.structures
TransformedStructure.to_snl()
TransformedStructure.undo_last_change()
TransformedStructure.was_modified
TransformedStructure.write_vasp_input()
- pymatgen.alchemy.transmuters module
CifTransmuter
PoscarTransmuter
StandardTransmuter
StandardTransmuter.add_tags()
StandardTransmuter.append_transformation()
StandardTransmuter.append_transformed_structures()
StandardTransmuter.apply_filter()
StandardTransmuter.extend_transformations()
StandardTransmuter.from_structures()
StandardTransmuter.redo_next_change()
StandardTransmuter.set_parameter()
StandardTransmuter.undo_last_change()
StandardTransmuter.write_vasp_input()
batch_write_vasp_input()
Module contents
This package provides the modules for performing large scale transformations on a large number of structures.