Pyxtal

Latest version: v0.6.6

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0.2.6

- Largely improved the subgroup function for molecular crystals (142)
- Fix some inconsistency for wyckoff split

0.2.5

- improve the subgroup function for organic crystals
- improve the reading seeds function for organic crystals

0.2.4

- support reading multiple molecular sites from a given cif/poscar (141)
- fix a bug in the test script (140)
- added cell transform function

0.2.3

- improve the optimize lattice function 137
- add the check distance function
- fix a minor bug 138 reported from user

0.2.2

- support the recent major change in Pymatgen

0.2.1

- fix the scipy issue 126
- fix the bugs of reading and optimizing the lattice for molecular crystals
- adjust some error message to warning

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