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Releases: molssi-seamm/supercell_step

Updated to handle symmetry in systems

05 Nov 21:51
b842109
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Merge pull request #5 from molssi-seamm/dev

Updated to new structure; handle symmetry in systems.

Updated for Python 3.8 and 3.9

14 Oct 22:50
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2021.10.14

Added new CHE grant number.

Streamlined and improved the documentation.

12 Feb 15:29
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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

04 Feb 20:06
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2021.2.4

Fixing problems with PyPi

Generalized to non-orthorhombic systems

05 Dec 21:07
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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

20 Jun 18:02
0661689
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Merge pull request #2 from molssi-seamm/pyup-config

Config file for pyup.io

Initial working version, orthorhombic cells only.

18 Jun 22:55
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0.9

Created some simple tests of teh description to get started.