bsym

Contents:

  • Getting Started
  • User Guide
  • Theory and Core Concepts
bsym
  • interface
  • View page source

interface

  • bsym.interface.pymatgen
    • configuration_space_from_molecule()
    • configuration_space_from_structure()
    • molecule_cartesian_coordinates_mapping()
    • molecule_mapping_list()
    • new_structure_from_substitution()
    • parse_site_distribution()
    • point_group_from_molecule()
    • random_unique_structure_substitutions()
    • space_group_from_structure()
    • space_group_symbol_from_structure()
    • structure_cartesian_coordinates_mapping()
    • structure_mapping_list()
    • unique_structure_substitutions()
    • unique_structure_substitutions_by_composition()
    • unique_symmetry_operations_as_vectors_from_structure()

© Copyright 2017, Benjamin J. Morgan.

Built with Sphinx using a theme provided by Read the Docs.