v0.3.0
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #43
- Populate
snapshot.bonds.types
andsnapshot.bonds.typeid
by @chrisjonesBSU in #46 - [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #47
- Correctly set the mass when creating mb.Compound from a Snapshot; add
mass_scale
parameter by @chrisjonesBSU in #49 - [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #48
- Update GSD version, and fix hydrogen mapping by @chrisjonesBSU in #53
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #55
- Fix readthedocs build by @jennyfothergill in #57
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #56
- clean up setup.py file for making conda-forge recipe by @chrisjonesBSU in #58
New Contributors
- @chrisjonesBSU made their first contribution in #46
Full Changelog: v0.2.2...v0.3.0