Pyxtal

Latest version: v1.0.6

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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

0.0.8

- Improved the molecular orientation function
- added an option to check the starting orientation of the molecule
- added the GULP interfaces for simple atomic crystals

0.0.7

- Reorganize the molecular crystal functions
- improve the speed of distance calculations (project_point, distance matrix)

0.0.6

- Added the visualization function for both molecular/atomic crystals
- Added the function of lattice mutation and optimization
- largely improved the generation of molecular crystal
- fix the bug of generating molecular crystals occupying the special Wyckoff sites

0.0.5

- heavy reformats (separate tolerance, lattice, io classes)
- allow the user to assign the desired Wyckoff list for atomic systems (suggested by Rhys Goodall)
- largely improved the generation of molecular crystal
- added a cif writer to molecular crystal
- added the rotation/translation function to play with the molecular Wyckoff sites

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