From 6000add4f4f9f078165d88499e3f913c29ba5007 Mon Sep 17 00:00:00 2001 From: Shyue Ping Ong Date: Thu, 3 Oct 2024 10:12:27 -0700 Subject: [PATCH] Update changelog. Update version. --- docs/CHANGES.md | 8 ++++++++ pyproject.toml | 3 +-- 2 files changed, 9 insertions(+), 2 deletions(-) diff --git a/docs/CHANGES.md b/docs/CHANGES.md index 145de57d5b3..f5c9e2daef0 100644 --- a/docs/CHANGES.md +++ b/docs/CHANGES.md @@ -6,6 +6,14 @@ nav_order: 4 # Changelog +## v2024.10.3 +- Enable parsing of "SCF energy" and "Total energy" from QCOutput for Q-chem 6.1.1+. (@Jaebeom-P) +- Fix dict equality check with numpy array (@DanielYang59) +- Fix usage of strict=True for zip in cp2k.outputs (@DanielYang59) +- Fix bug with species defaults (@tpurcell90) +- SLME Bug Fixes (@kavanase) + + ## v2024.9.17.1 - Emergency release No. 2 to fix yet another regression in chempot diagram. (Thanks @yang-ruoxi for fixing.) diff --git a/pyproject.toml b/pyproject.toml index abc2635c875..e136b4b52e6 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -13,7 +13,6 @@ build-backend = "setuptools.build_meta" name = "pymatgen" authors = [{ name = "Pymatgen Development Team", email = "ongsp@ucsd.edu" }] maintainers = [ - { name = "Janosh Riebesell", email = "janosh.riebesell@gmail.com" }, { name = "Matthew Horton", email = "m.k.horton@gmail.com" }, { name = "Shyue Ping Ong", email = "ongsp@ucsd.edu" }, ] @@ -78,7 +77,7 @@ dependencies = [ # https://numpy.org/devdocs/dev/depending_on_numpy.html#runtime-dependency-version-ranges "numpy>=1.25.0,<3", ] -version = "2024.9.17.1" +version = "2024.10.3" [project.urls] Homepage = "https://pymatgen.org"