pymatgen.analysis.interfaces package

Subpackages

Submodules

• pymatgen.analysis.interfaces.coherent_interfaces module
  • CoherentInterfaceBuilder
    • CoherentInterfaceBuilder.get_interfaces()
  • from_2d_to_3d()
  • get_2d_transform()
  • get_rot_3d_for_2d()
• pymatgen.analysis.interfaces.substrate_analyzer module
  • SubstrateAnalyzer
    • SubstrateAnalyzer.calculate()
    • SubstrateAnalyzer.generate_surface_vectors()
  • SubstrateMatch
    • SubstrateMatch.elastic_energy
    • SubstrateMatch.film_miller
    • SubstrateMatch.from_zsl()
    • SubstrateMatch.ground_state_energy
    • SubstrateMatch.strain
    • SubstrateMatch.substrate_miller
    • SubstrateMatch.total_energy
    • SubstrateMatch.von_mises_strain
• pymatgen.analysis.interfaces.zsl module
  • ZSLGenerator
    • ZSLGenerator.generate_sl_transformation_sets()
    • ZSLGenerator.get_equiv_transformations()
  • ZSLMatch
    • ZSLMatch.film_sl_vectors
    • ZSLMatch.film_transformation
    • ZSLMatch.film_vectors
    • ZSLMatch.match_area
    • ZSLMatch.match_transformation
    • ZSLMatch.substrate_sl_vectors
    • ZSLMatch.substrate_transformation
    • ZSLMatch.substrate_vectors
  • fast_norm()
  • gen_sl_transform_matrices()
  • get_factors()
  • is_same_vectors()
  • reduce_vectors()
  • rel_angle()
  • rel_strain()
  • vec_angle()
  • vec_area()

Module contents

Module that implements various algorithms related to interface construction and analysis