From ff80a4429ec5658e1373de62c70910c886290498 Mon Sep 17 00:00:00 2001 From: Colton Hicks Date: Tue, 13 Aug 2024 15:53:05 -0700 Subject: [PATCH] Bumped version to 0.6.2. Updated CHANGELOG. --- CHANGELOG.md | 7 +++++-- pyproject.toml | 2 +- 2 files changed, 6 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 11f1144..62b5a1a 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,7 +6,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), ## [unreleased] -### +## [0.6.2] - 2024-08-13 + +### Added - `CREST` encoder and directory parser for conformer search output directories. @@ -118,7 +120,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), - Can return either `AtomicResult` or `FailedOperation` objects depending on whether calculation succeeded or failed. - Tests for all parsers and the main `parse` function. -[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.1...HEAD +[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.2...HEAD +[0.6.2]: https://github.com/coltonbh/qcparse/releases/tag/0.6.2 [0.6.1]: https://github.com/coltonbh/qcparse/releases/tag/0.6.1 [0.6.0]: https://github.com/coltonbh/qcparse/releases/tag/0.6.0 [0.5.3]: https://github.com/coltonbh/qcparse/releases/tag/0.5.3 diff --git a/pyproject.toml b/pyproject.toml index 2be5d18..f9ba699 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "qcparse" -version = "0.6.1" +version = "0.6.2" description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects." authors = ["Colton Hicks "] license = "MIT"