- 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
0.1.3
- reorganized the symmetry code - fixed a bug in lattice mutation - reorganized the t-subgroup function - fixed a bug when the site is given - added the seed function to load ase/pymatgen structure
0.1.2
- fixed some bugs in subgroup function - updated the tutorial for atomic crystals
0.1.1
Added an initial support on the subgroup function.
0.1.0
- Switch the travis support to GitHub - constrain the molecular center to the unit cell when exporting the structure to ASE/Pymatgen - add the reading force function to the gulp calculator.
0.0.9
- Improved the visualization of low-dimensional systems - Added working examples