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Releases: JuDFTteam/pymatgen-io-fleur

Release 0.5.0

05 May 12:22
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What's Changed

  • Minimum masci-tools requirement is now 0.13
  • Add python 3.11 support by @janssenhenning in #13

Full Changelog: v0.4.1...v0.5.0

Release 0.4.1

07 Dec 11:22
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Fixes to make code more robust against changes in masci-tools

Release 0.4.0

16 Jul 10:18
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This release adds support for film systems of FLEUR
And fixes units of stomic positions

Release 0.3.1

24 Jan 09:29
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Bugfix release fixing metadata on pypi

Release 0.3.0

19 Jan 12:08
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Release with support for python 3.10. Also switched to flit build system

Release 0.2.0

23 Oct 09:35
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This release raises the required pymatgen version to v2022.0.15 to ensure that all integrations of this add-on made in the main package are present

Release 0.1.1

21 Aug 13:52
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v0.1.1

Raise version to 0.1.1

Release 0.1.0

20 Aug 13:55
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Initial Release:

Adds a FleurInput class to read in inpgen and xml files from the FLEUR code. Writing back out is possible only to the inpgen format