v0.4.0

0.4.0 (2025-08-11)

Features

• pyproject.toml (5f931e0)

Bug Fixes

• ci: release permisisons (cfbe38d)
• conflicting license information (#25) (8f275dd)
• don't directly depend on grappa-ff (f95e19b)
• pyproject file (d8f3232)

v0.3.2

0.3.2 (2025-03-06)

Bug Fixes

• trigger release to build docs on release PR (9508586)

v0.3.1

0.3.1 (2025-03-06)

Bug Fixes

• ci: fix publish trigger (#21) (4eebfe1)

v0.3.0

0.3.0 (2024-09-06)

Features

• add docs and update gh actions #19 (cdae26f)

Bug Fixes

• give kimmdy_grappa its own module (4ab0a14)

v0.2.0

0.2.0 (2024-02-26)

Features

• make grappa v.1.1 compatible (tested) (3b545f6)
• Merge pull request #14 from hits-mbm-dev/grappa1.1_compatible (3b545f6)

v0.1.5

0.1.5 (2024-02-12)

Bug Fixes

• don't dump mol into log (b98aa9e)

Grappa v1 compatible

grappa_v1_compatible

Merge pull request #10 from hits-mbm-dev/release-please--branches--ma…

Grappa pre v1

Version compatible with grappa pre v1

v0.1.4

0.1.4 (2024-01-31)

Bug Fixes

• fail for molecule without a certain type of parameters (27de85d)

v0.1.3

0.1.3 (2023-11-07)

Bug Fixes

• make release use patch version number (ad90027)