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Releases: molssi-seamm/dftbplus_step

Periodic calculations

26 Nov 20:54
ac43388
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Added handling of the reciprocal space k-mesh for periodic calculations.

Minor fixes and format issues.

13 Oct 23:13
ad02b34
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Also updated to Python 3.8 and 3.9.

Added installation of Slater-Koster files.

06 Jun 00:40
de52dcf
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Merge pull request #4 from molssi-seamm/installer

Finalized installer handling the Slater-Koster files.

Updated for new command-line argument handling.

04 Jun 16:46
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Updated for the seamm argument parser moving to seamm_util.

Corrected the default path for the Slater-Koster functions.

Added installer for DFTB+ itself

21 May 14:52
f78e4d2
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Added a plug-in specific installer that installs DFTB+ in the seamm-dftbplus environment if needed, and sets up the configuration file entries needed.

Improved the description displayed in the new installer.

10 Feb 18:51
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Updated the short description and keywords to better represent the pl…

…ug-in.

Upgraded to be compatible with the new system description.

03 Feb 21:20
7f0302b
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Merge pull request #2 from molssi-seamm/system2

Updated for the new system

Initial working version

02 Dec 20:25
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2020.12.2

Deploying to PyPi regardless of tags.