diff --git a/CHANGELOG.md b/CHANGELOG.md index 521f26d2..dbfcb863 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,6 +1,30 @@ # Changelog <<<<<<< HEAD +## [6.9.0](https://github.com/graeter-group/kimmdy/compare/v6.8.3...v6.9.0) (2024-07-11) + + +### Features + +* add xtc option to config ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) +* always setup tasks on init of RunManager ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) +* configure logger from init of Config ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) +* link nrexcl of reactive moleculetype to toplevel topology ([#451](https://github.com/graeter-group/kimmdy/issues/451)) ([b100117](https://github.com/graeter-group/kimmdy/commit/b10011724eff1d0ae7572b5d5d9b32b2947ae356)) + + +### Bug Fixes + +* close task logger handler after taks has run. fixes [#452](https://github.com/graeter-group/kimmdy/issues/452) ([451f3fd](https://github.com/graeter-group/kimmdy/commit/451f3fd02c2bf942939c2576fd13465916be4463)) +* polymer_test ([7485011](https://github.com/graeter-group/kimmdy/commit/7485011fb532b6e8e51813bd1da4f3ebeffe9160)) +* properly compare to empty dicts ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) +* recip parsing without eval ([#448](https://github.com/graeter-group/kimmdy/issues/448)) ([0a5a213](https://github.com/graeter-group/kimmdy/commit/0a5a213254d5c762a3b377305af33f0a62d9c6ab)) +* resolve all non-relative paths in config relative to config.cwd ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) + + +### Documentation + +* update quarto version ([95160df](https://github.com/graeter-group/kimmdy/commit/95160df3b38e4328e67f6f14f6672163c0745eb0)) + ## [6.8.1](https://github.com/graeter-group/kimmdy/compare/v6.8.0...v6.8.1) (2024-06-17) ======= ## [6.8.3](https://github.com/graeter-group/kimmdy/compare/v6.8.2...v6.8.3) (2024-06-25) diff --git a/setup.cfg b/setup.cfg index c950f36b..dc2024e8 100644 --- a/setup.cfg +++ b/setup.cfg @@ -1,6 +1,6 @@ [metadata] name = kimmdy -version = 6.8.3 +version = 6.9.0 license = MIT description = Kinetic Monte Carlo Molecular Dynamics description_content_type = text/markdown