Dftbplus-step

Latest version: v2024.4.24

Safety actively analyzes 640965 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 5 of 5

2021.11.26

Added handling of the reciprocal space k-mesh for periodic calculations.

2021.10.13 -- Minor fixes and format issues.
Also updated for Python 3.8 and 3.9

2021.6.5 -- Added installation of Slater-Koster files.

2021.6.4 -- Updated for new command-line argument handling.
Corrected the default path for the Slater-Koster functions.

2021.5.21

Added a plug-in specific installer that installs DFTB+ in the seamm-dftbplus
environment if needed, and sets up the configuration file entries needed.

2021.2.10

----------------------------

* Updated the README file to give a better description.
* Updated the short description in setup.py to work with the new installer.
* Added keywords for better searchability.

2021.2.3

--------------------------

* Internal Release

- Compatible with the enhance version of MolSystem classes.

2020.12.2

---------------------------

* First release of a working version on PyPI.

Page 5 of 5

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.