Changelog

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)