pymatgen.analysis.gb package

Subpackages

Submodules

• pymatgen.analysis.gb.grain module
  • GrainBoundary
    • GrainBoundary.as_dict()
    • GrainBoundary.bottom_grain
    • GrainBoundary.coincidents
    • GrainBoundary.copy()
    • GrainBoundary.from_dict()
    • GrainBoundary.get_sorted_structure()
    • GrainBoundary.sigma
    • GrainBoundary.sigma_from_site_prop
    • GrainBoundary.top_grain
  • GrainBoundaryGenerator
    • GrainBoundaryGenerator.enum_possible_plane_cubic()
    • GrainBoundaryGenerator.enum_sigma_cubic()
    • GrainBoundaryGenerator.enum_sigma_hex()
    • GrainBoundaryGenerator.enum_sigma_ort()
    • GrainBoundaryGenerator.enum_sigma_rho()
    • GrainBoundaryGenerator.enum_sigma_tet()
    • GrainBoundaryGenerator.gb_from_parameters()
    • GrainBoundaryGenerator.get_ratio()
    • GrainBoundaryGenerator.get_rotation_angle_from_sigma()
    • GrainBoundaryGenerator.get_trans_mat()
    • GrainBoundaryGenerator.reduce_mat()
    • GrainBoundaryGenerator.slab_from_csl()
    • GrainBoundaryGenerator.vec_to_surface()
  • fix_pbc()
  • symm_group_cubic()

Module contents

This package implements various grain boundary analyses