From e3f0c89b3dca454056819685a8794d9e4e03fd01 Mon Sep 17 00:00:00 2001 From: Alex Ganose Date: Thu, 23 Dec 2021 12:25:47 +0000 Subject: [PATCH] Update changelog for v0.0.4 --- docs/src/user/changelog.rst | 36 ++++++++++++++++++++++++++++++++++++ 1 file changed, 36 insertions(+) diff --git a/docs/src/user/changelog.rst b/docs/src/user/changelog.rst index f6c4b9f087..b228804362 100644 --- a/docs/src/user/changelog.rst +++ b/docs/src/user/changelog.rst @@ -1,6 +1,42 @@ Change log ========== +v0.0.4 +------ + +Lots of improvements and bug fixes this release. + +New features: + +- AMSET workflow. +- Electron phonon band gap renormalisation workflow. +- Specific uniform and line mode band structure makers. +- Optics maker. +- Transmuter maker. + +Enhancements: + +- Support for automatic handling of ISPIN. +- Add MP base sets (@arosen93) [#27] +- Docs updates (@arosen93) [#13, #17] +- Options to strip band structure and DOS projects to reduce object sizes. +- Input sets now use generators to avoid serialization issues. +- Use smart efermi finding to remove errors with tetrahedron integration in VASP 6. +- Powerups can now work on ``Maker`` objects directly. + +Bug fixes: + +- Use PBEsol by default. +- Increase number of signficant figures when writing POSCAR files. +- Remove unused INCAR settings (@arosen93) +- Add missing LASPH flags on vdW functionals (@arosen93) [#31] +- Use ``NSW=0`` in static calculations (@arosen93) [#10] +- ``LREAL = False`` in static jobs by default (@arosen93) [#23] +- Add missing functionals in output schema (@arosen93) [#12] +- Many output schema fixes. +- Better support for FireWorks. +- Support writing additional files in VASP jobs. + v0.0.3 ------