Skip to content

Commit

Permalink
Bumped version to 0.6.4. Updated CHANGELOG.
Browse files Browse the repository at this point in the history
  • Loading branch information
coltonbh committed Oct 2, 2024
1 parent 54b6755 commit ea087f4
Show file tree
Hide file tree
Showing 2 changed files with 5 additions and 2 deletions.
5 changes: 4 additions & 1 deletion CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),

## [unreleased]

## [0.6.4] - 2024-10-01

### Added

- Encoders and parsers for CREST to support `energy`, `gradient`, `hessian`, and `optimization` calculations.
Expand Down Expand Up @@ -130,7 +132,8 @@ 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/0.6.3...HEAD
[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.4...HEAD
[0.6.4]: https://github.com/coltonbh/qcparse/releases/tag/0.6.4
[0.6.3]: https://github.com/coltonbh/qcparse/releases/tag/0.6.3
[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
Expand Down
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
[tool.poetry]
name = "qcparse"
version = "0.6.3"
version = "0.6.4"
description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects."
authors = ["Colton Hicks <[email protected]>"]
license = "MIT"
Expand Down

0 comments on commit ea087f4

Please sign in to comment.