v0.1.3

Release to initialize Zenodo DOI.

0.1.2

Update GitHub and Codecov badge links (#32)

Stable pre-lease

What's Changed

• Hklem patch 1 by @hklem in #16
• minor typos by @dmr3 in #17
• 18 truncate doesnt support alternative backbone atom names by @hklem in #20
• 19 residues containing link atoms are not truncated by @hklem in #21
• Update README.md by @hklem in #23
• Hklem patch 1 by @hklem in #24
• Addition of ChargeShiftAnalysis SelectionScheme by @MirumKim in #27

New Contributors

• @dmr3 made their first contribution in #17
• @MirumKim made their first contribution in #27

Full Changelog: 0.0.7.dev0...0.1.0

Developmental release

This is the first semi-stable developmental release of QMzyme. The user API is subject to change. When viewing the user documentation please ensure the documentation version patches the release tag to ensure the documentation is consister with your current version. This release is available on the PyPi platform and installable via the command pip install QMzyme (or pip install QMzyme==0.0.7.dev0).

Please feel free to reach out with feedback or questions.
Heidi Klem
heidi.klem@nist.gov