Releases: molssi-seamm/supercell_step
Releases · molssi-seamm/supercell_step
Updated to handle symmetry in systems
Updated for Python 3.8 and 3.9
2021.10.14 Added new CHE grant number.
Streamlined and improved the documentation.
Streamlined the documentation, adding a description for the plug-in.
Also tidied up the description for PyPI, which is used by the new installer, and added keywords to help with searches.
Finally, removed unused imports flagged by LGTM.
Updated to be compatible with the new system classes
2021.2.4 Fixing problems with PyPi
Generalized to non-orthorhombic systems
Move to the new system and to the new option handling, and in the process relaxed the limitation of orthorhombic cells.
Fixed a bug copying the charges dictionary
Merge pull request #2 from molssi-seamm/pyup-config Config file for pyup.io
Initial working version, orthorhombic cells only.
0.9 Created some simple tests of teh description to get started.