Thunder-ase

Latest version: v0.8.3

Safety actively analyzes 681844 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 1 of 5

* update Fireball.minimize()

* write 001.traj
* Update Readme.md

* use force RMS as convergence criteria instead of fmax
* rewrite the step() function for MDMin, BFGS, LBFGS, and FIRE

* Bug: New spglib doesn't support read ase.Atoms as spg.Cell
* Add new example: 4_Ga2O3_MD

* new Fireball.dynamics() function for easy running optimization and MD with socket
* update examples
* fix small bugs

Has known vulnerabilities