masci-tools
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JuDFTteam
Post-processing toolkit for electronic structure calculations
updates: - [github.com/pre-commit/pre-commit-hooks: v4.4.0 → v4.6.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.4.0...v4.6.0) - [github.com/google/yapf: v0.33.0 → v0.40.2](https://github.com/google/yapf/compare/v0.33.0...v0.40.2) - https://github.com/ikamensh/flynt/: 0.78 → 1.0.1 - [github.com/asottile/pyupgrade: v3.3.2 → v3.17.0](https://github.com/asottile/pyupgrade/compare/v3.3.2...v3.17.0)
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Bumps [actions/setup-python](https://github.com/actions/setup-python) from 4.6.0 to 4.7.0. Release notes Sourced from actions/setup-python's releases. v4.7.0 In scope of this release, the support for reading python version from pyproject.toml was added (actions/setup-python#669). -...
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Bumps [peter-evans/create-pull-request](https://github.com/peter-evans/create-pull-request) from 5.0.0 to 5.0.2. Release notes Sourced from peter-evans/create-pull-request's releases. Create Pull Request v5.0.2 ⚙️ Fixes an issue that occurs when using push-to-fork and both base and head...
Hi, Is there a way to parse multiple data sets in the plot_fleur_dos? For example data1, attribute1 from banddos1.hdf and data2, attribute2 from banddos2.hdf. The question comes mainly if one...
Hi! I added the branch support/aiida-1.X. It is is based on [release 0.13.0](https://github.com/JuDFTteam/masci-tools/releases/tag/v0.13.0). It should remain fixed at that version and not be updated. This branch is aimed at those...
A function that is used in the KKR parsers to search output files slows down for some reason if the output file is larger. This can be seen in the...
At the moment to use the colors from the Jülich corporate design in plots one must look up the hex values and use them manually It would be nice to...
Atm the `GreensFunction` class is very tied to the Fleur IO and the LS basis It would be useful to have the ability to transform into different decompositions, e.g. from...