CHANGELOG.md

Changelog

0.7.1 (2025-01-23)

Bug Fixes

• gh actions (dbe3e2c)
• trigger release (74f5116)

0.7.0 (2025-01-23)

Features

• hat_naive: return recipes for all neighboring H with random rates instead of returning just one random H (92f3005)

Bug Fixes

• allow multi rfkmc in config (421ea77)
• log each missing edissoc entry only once by caching the results (1b26864)

0.6.0 (2024-09-06)

Features

• update gh actions workflows and add docs #11 (6f125a1)

Documentation

• add docs (9ba49b5)

0.5.1 (2024-08-29)

Bug Fixes

• use correct yaml type for number (0d7a87b)
• use gro instead of tpr refs graeter-group/kimmdy#477 (2235295)

0.5.0 (2024-03-21)

Features

• make arrhenius equation variables accessible (dfbca12)

0.4.0 (2024-03-21)

Features

• check bound (4a8829b)

Bug Fixes

• symlink ff before parsing top (0b61cb3)

0.3.0 (2024-02-19)

Features

• trigger release (f472c07)

0.2.1 (2024-02-09)

Bug Fixes

• improved handling of averaged plumed input. (2132914)

0.2.0 (2023-12-19)

Features

• handle averaged distances in plumed output (b4f4829)

Bug Fixes

• add ff dir (4faa821)
• homolysis test (8328d7f)

0.1.1 (2023-11-07)

Bug Fixes

• make release use patch version number (82fc5d1)

0.1.0 (2023-11-06)

Features

• trigger release (1d5c45a)