- added a feature to generate the crystals with random seeds (133) - supergroup function with improved atomic mapping scheme - supergroup function of splitting from three sites to one site
0.1.9
- Fix the incompatibility issue with scipy 126 - added the function to search for alternative Wyckoff setting of a crystal structure 124 - supergroup function can work for most structures 120 - A bit clean up in the code according to PyLint 130
0.1.8
- fix the error in reading the seed for atomic crystals - fix a minor bug in subgroup function - improve the supergroup function
0.1.7
- Enabled the supergroup function - Enabled the alternative setting option
0.1.6
- revised the vasp interface - debugged the optimize lattice function - fully debugged the subgroup function - added a cif reader
0.1.5
Major improvement for group-subgroup relation - atomic crystals support the assignment of both t/k subgroups - molecular crystals support the assignment of t subgroup when the cell size does not change (permutation is allowed)