PyXtal v0.1.4

qzhu2017 released this 26 Nov 23:43

· 1334 commits to master since this release

d8c1478

This is a major release

Now the structure generation will be called from PyXtal
enable two styles for cif output
polish the structure perturbation function
enable the save/load dictionary function for pyxtal, pyxtal_molecule, atom_site, mol_site
simplify the Group class
add list_wyckoff_combinations

Assets 2