1. Major refactoring of ABINIT IO to remove workflow-based packages (gmatteo) 2. Use caching in MinimumVIRENN class. (Alex Ganose) 3. Changes to Lobster module and lobsterset (jageo) 4. Eigenval object for EIGENVAL output file (mturiansky)
2019.10.4
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1. Fix compile args.
2019.10.3
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* Faster get_all_neighbors based on chc273's improvements. get_all_neighbors now returns a Site-like object with nn_distance, image and index attributes. Much easier to use. * Bug fix for XCrySDen parser (stevetorr) * Added optional mid_struct to direct interpolation (jmmshn)
2019.10.2
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* IRSpectra class (henriquemiranda) * Much faster get_neighbors written in Cython (chc273). * VolumetricData allows for sum or subtraction of data with different structures, with warnings.
2019.9.16
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* Updates to annotation, docstrings, etc. Linting service now provided on Github Actions as well as CircleCI.
2019.9.12
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* Massive updates to type annotations, especially for core classes. * pycodestyle, pydocstyle and mypy will henchforth be enforced for all new PRs.