pymatgen.analysis.gb package
Subpackages
Submodules
- pymatgen.analysis.gb.grain module
GrainBoundary
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