From 41e97eade50ecd140dbd678af51a19a3b7e4afc9 Mon Sep 17 00:00:00 2001 From: Alex Ganose Date: Fri, 6 May 2022 00:17:04 +0100 Subject: [PATCH] Update changelog --- docs/about/changelog.md | 27 +++++++++++++++++++++++++-- 1 file changed, 25 insertions(+), 2 deletions(-) diff --git a/docs/about/changelog.md b/docs/about/changelog.md index 4160fca187..51c63b6ce5 100644 --- a/docs/about/changelog.md +++ b/docs/about/changelog.md @@ -1,6 +1,31 @@ Change log ========== +v0.0.7 +------ + +New features: + +- Include band-related features (e.g. band center, bandwidth, skewness, kurtosis) in + VASP schema ([@arosen93](https://github.com/arosen93), [#92](https://github.com/materialsproject/atomate2/pull/92)) +- Add `use_auto_ispin` and `update_user_potcar_functional` powerups + +Enhancements: + +- Add `is_hubbard` and `hubbards` to VASP task doc. +- Migrate build system to pyproject.toml. +- Migrate docs to jupyter-book. +- Docs improvements ([@janosh](https://github.com/janosh), [@mjwen](https://github.com/mjwen)) + +Bug fixes: + +- Fix HSE tags. +- Fix running bader. +- Make potcar_spec argument usable ([@jmmshn](https://github.com/jmmshn), [#83](https://github.com/materialsproject/atomate2/pull/83)) +- Replace monty which with shutil which ([@arosen93](https://github.com/arosen93), [#92](https://github.com/materialsproject/atomate2/pull/92)) +- Fix `calculate_deformation_potentials()` ([@janosh](https://github.com/janosh), [#94](https://github.com/materialsproject/atomate2/pull/94)) +- Fix gzipping of files with numerical suffixes ([@jmmshn](https://github.com/jmmshn), [#116](https://github.com/materialsproject/atomate2/pull/116)) + v0.0.6 ------ @@ -21,7 +46,6 @@ Bug fixes: - Fixed atomate2 version string. - Disabled orbital projections in the electron-phonon workflow. - v0.0.5 ------ @@ -41,7 +65,6 @@ Bug fixes: - Better handling of URI generation. - Tweak k-spacing formula to stop large band gaps giving negative values - v0.0.4 ------