diff --git a/CHANGELOG.md b/CHANGELOG.md index 25307fc0c3..a70a105967 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -4,7 +4,7 @@ All notable changes to this project will be documented in this file. The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## [0.6.11] +## [0.7.0] ### Added @@ -12,11 +12,13 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), ### Changed +- There are no more `os.chdir` calls to ensure thread safety - Use `pymatgen.io.ase.MSONAtoms` to make MSONable `Atoms` - Changed default NEDOS value from 5001 to 3001 for VASP static jobs (10x the default) ### Fixed +- Fixed multithreaded `@task` distribution with VASP and Q-Chem - Fixed a bug where, with Prefect, the `State` would raise an indexing error when passing around deferred `dict` entries - Fixed a bug when `job_parameters` and `job_decorators` are both passed to `customize_funcs()` - Raise a `ValueError` when the user provides `SCRATCH_DIR` or `RESULTS_DIR` as a relative path diff --git a/pyproject.toml b/pyproject.toml index 546f023628..189408493e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta" [project] name = "quacc" description="A platform to enable high-throughput, database-driven quantum chemistry and computational materials science" -version = "0.6.11" +version = "0.7.0" readme = "README.md" license = { text = "BSD-3" } authors = [{ name = "Andrew S. Rosen", email = "asrosen@princeton.edu" }]