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Change log
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==========
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+ v0.0.7
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+ ------
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+ New features:
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+ - Include band-related features (e.g. band center, bandwidth, skewness, kurtosis) in
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+ VASP schema ([ @arosen93 ] ( https://github.com/arosen93 ) , [ #92 ] ( https://github.com/materialsproject/atomate2/pull/92 ) )
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+ - Add ` use_auto_ispin ` and ` update_user_potcar_functional ` powerups
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+ Enhancements:
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+ - Add ` is_hubbard ` and ` hubbards ` to VASP task doc.
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+ - Migrate build system to pyproject.toml.
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+ - Migrate docs to jupyter-book.
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+ - Docs improvements ([ @janosh ] ( https://github.com/janosh ) , [ @mjwen ] ( https://github.com/mjwen ) )
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+ Bug fixes:
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+ - Fix HSE tags.
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+ - Fix running bader.
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+ - Make potcar_spec argument usable ([ @jmmshn ] ( https://github.com/jmmshn ) , [ #83 ] ( https://github.com/materialsproject/atomate2/pull/83 ) )
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+ - Replace monty which with shutil which ([ @arosen93 ] ( https://github.com/arosen93 ) , [ #92 ] ( https://github.com/materialsproject/atomate2/pull/92 ) )
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+ - Fix ` calculate_deformation_potentials() ` ([ @janosh ] ( https://github.com/janosh ) , [ #94 ] ( https://github.com/materialsproject/atomate2/pull/94 ) )
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+ - Fix gzipping of files with numerical suffixes ([ @jmmshn ] ( https://github.com/jmmshn ) , [ #116 ] ( https://github.com/materialsproject/atomate2/pull/116 ) )
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v0.0.6
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------
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@@ -21,7 +46,6 @@ Bug fixes:
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- Fixed atomate2 version string.
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- Disabled orbital projections in the electron-phonon workflow.
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v0.0.5
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------
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@@ -41,7 +65,6 @@ Bug fixes:
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- Better handling of URI generation.
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- Tweak k-spacing formula to stop large band gaps giving negative values
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v0.0.4
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------
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