diff --git a/CHANGELOG.md b/CHANGELOG.md index c7e4489..9428970 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,9 +6,11 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), ## [unreleased] +## [0.6.9] - 2024-04-12 + ### Changed -- Updated `qcop=^0.5.5` to capture `exception.program_failure` more comprehensively on `adapter.compute(...) calls. +- Updated `qcop=^0.5.5` to capture `exception.program_failure` more comprehensively on `adapter.compute(...)` calls. - Updated `qcop` also has native `xtb` adapter now to avoid >1s overhead associated with `qcengine`. ## [0.6.8] - 2024-04-05 @@ -216,7 +218,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), - Initial release of core BigQC feature set. Tasks for `compute` (single point energy, gradient, hessian, and properties calculations) and `compute_procedure` (geometry optimization routine). Algorithms for distributed hessian and normal mode analysis with their associated tasks. -[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.6.8...HEAD +[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.6.9...HEAD +[0.6.9]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.9 [0.6.8]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.8 [0.6.7]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.7 [0.6.6]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.6 diff --git a/pyproject.toml b/pyproject.toml index 684aba6..5a5915f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "bigchem" -version = "0.6.8" +version = "0.6.9" description = "A distributed system for scaling and parallelizing quantum chemistry calculations" authors = ["Colton Hicks "] readme = "README.md"