Pyxtal

Latest version: v0.6.7

Safety actively analyzes 641221 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 7 of 11

- Add torsion angles support 144
- Add the bond length data for reading the cif file 143

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

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

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

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

- support the recent major change in Pymatgen

Has known vulnerabilities

Previous Next