Version 0.1.7

What's Changed

• Improve installation instructions and README by @Jnelen in #51
• Support for protein-protein complex by @Aunity in #57

New Contributors

• @Jnelen made their first contribution in #51

Full Changelog: v0.1.6...v0.1.7

version 0.1.6

What's Changed

• validate and repair for ligand by @Aunity in #41

• Fix some bugs

v0.1.5

What's Changed

• Update citation to BIB by @allybo in #34
• Update README.md by @allybo in #35
• fix: scan bug by @Aunity in #36

New Contributors

• @allybo made their first contribution in #34

Full Changelog: v0.1.4...v0.1.5

v0.1.4

What's Changed

• Fix some bugs by @Aunity in #32

Full Changelog: v0.1.3...v0.1.4

v0.1.3

What's Changed

• fix: auto publish bug by @Aunity in #26
• feat: support gb-1 parameters by @Aunity in #27
• fix: scan paras bug by @Aunity in #28
• Thread: fix thread mode bug by @Aunity in #30
• Launching: add launching support by @Aunity in #31

Full Changelog: v0.1.2...v0.1.3

v0.1.2

What's Changed

• Delete plots.ipynb by @Aunity in #13
• refactor: rename hmtpbsa to unigbsa by @Aunity in #14
• feat: add some new charge method by @Aunity in #15
• feat: obtain net charge from molecular by @Aunity in #17
• Update CI.yml by @Aunity in #18
• Origin/scanparas by @Aunity in #19
• fix Charge bug by @Aunity in #20
• Origin/scanparas by @Aunity in #22
• Scanparas by @Aunity in #21
• Create python-publish.yml by @Aunity in #24
• unigbsa-traj result bug by @Aunity in #25

Full Changelog: v0.0.8...v0.1.2

v0.1.0_pre

What's Changed

• Delete plots.ipynb by @Aunity in #13
• refactor: rename hmtpbsa to unigbsa by @Aunity in #14

Full Changelog: v0.0.8...v0.1.0_pre

v0.0.8

What's Changed

• fix: parse result bug by @Aunity in #12

Full Changelog: v0.0.8_pre...v0.0.8

v0.0.8_pre

What's Changed

• fix some bugs and add some new features by @Aunity in #11

Full Changelog: v0.0.7...v0.0.8_pre

v0.0.7

What's Changed

• Merge conflict by @Aunity in #7
• feat: hmtpbsa-md by @Aunity in #8
• version 0.0.7_pre by @Aunity in #9
• hmtpbsa-plot by @Aunity in #10

Full Changelog: v0.0.4...v0.0.7