pyiron_atomistics.atomistics.structure.pyscal

Functions

analyse_centro_symmetry(structure[, ...])	Analyse centrosymmetry parameter
analyse_cna_adaptive(structure[, mode, ...])	Use common neighbor analysis
analyse_diamond_structure(structure[, mode, ...])	Analyse diamond structure
analyse_find_solids(structure[, ...])	Get the number of solids or the corresponding pyscal system.
analyse_voronoi_volume(structure)	Calculate the Voronoi volume of atoms
get_steinhardt_parameter_structure(structure)	Calculate Steinhardts parameters
publication()
pyiron_to_pyscal_system(structure)	Converts atoms to ase atoms and than to a pyscal system.