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)

v0.1.2

0.1.2 (2023-11-07)

Bug Fixes

• trigger release (2b9b894)

v0.1.1

0.1.1 (2023-11-07)

Bug Fixes

• description content type (9cf3f6b)

v0.1.0

0.1.0 (2023-11-06)

Features

• trigger release (25f9aad)