From 071d1c8d807dc8693ae56a0d232dea4da76ef893 Mon Sep 17 00:00:00 2001 From: utf Date: Tue, 12 Nov 2024 16:40:44 +0000 Subject: [PATCH] Update changelog --- CHANGELOG.md | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index f3449eb3d5..eb13fe2ae7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,32 @@ # Change log +## v0.0.18 + +### New Features ๐ŸŽ‰ +* Aims magnetic ordering by @tpurcell90 in https://github.com/materialsproject/atomate2/pull/922 +* Ferroelectric Workflow 2 by @fraricci in https://github.com/materialsproject/atomate2/pull/1012 +* Feat: GW workflow with VASP by @yanghan234 in https://github.com/materialsproject/atomate2/pull/808 + +### Enhancements ๐Ÿ›  +* Allow energy minimization maker to report energies by @orionarcher in https://github.com/materialsproject/atomate2/pull/1004 +* Implementation to adjust get_supercell_size to also generate orthorhombic supercells by @QuantumChemist in https://github.com/materialsproject/atomate2/pull/923 +* MPMorph Flows by @BryantLi-BLI in https://github.com/materialsproject/atomate2/pull/938 + +### House-Keeping ๐Ÿงน +* Fix `ruff` PLC0206 by @janosh in https://github.com/materialsproject/atomate2/pull/1009 +* Update MACE to 0.3.6 by @orionarcher in https://github.com/materialsproject/atomate2/pull/1032 +* Allow custom mace model by specifying "model" in calculator kwargs" by @orionarcher in https://github.com/materialsproject/atomate2/pull/1017 +* feat: add dedicated fireworks optional dependency (Fix #1033). by @hongyi-zhao in https://github.com/materialsproject/atomate2/pull/1035 +* Make testing utils importable by @jmmshn in https://github.com/materialsproject/atomate2/pull/1037 + +### New Contributors +* @fraricci made their first contribution in https://github.com/materialsproject/atomate2/pull/1012 +* @hongyi-zhao made their first contribution in https://github.com/materialsproject/atomate2/pull/1035 +* @BryantLi-BLI made their first contribution in https://github.com/materialsproject/atomate2/pull/938 +* @yanghan234 made their first contribution in https://github.com/materialsproject/atomate2/pull/808 + +**Full Changelog**: https://github.com/materialsproject/atomate2/compare/v0.0.17...v0.0.18 + ## v0.0.17 ### Bug Fixes ๐Ÿ›