Unigbsa

What's Changed
* validate and repair for ligand by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/41


* Fix some bugs

What's Changed
* Update citation to BIB by allybo in https://github.com/dptech-corp/Uni-GBSA/pull/34
* Update README.md by allybo in https://github.com/dptech-corp/Uni-GBSA/pull/35
* fix: scan bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/36

New Contributors
* allybo made their first contribution in https://github.com/dptech-corp/Uni-GBSA/pull/34

**Full Changelog**: https://github.com/dptech-corp/Uni-GBSA/compare/v0.1.4...v0.1.5

What's Changed
* Fix some bugs by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/32


**Full Changelog**: https://github.com/dptech-corp/Uni-GBSA/compare/v0.1.3...v0.1.4

What's Changed
* fix: auto publish bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/26
* feat: support gb-1 parameters by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/27
* fix: scan paras bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/28
* Thread: fix thread mode bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/30
* Launching: add launching support by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/31


**Full Changelog**: https://github.com/dptech-corp/Uni-GBSA/compare/v0.1.2...v0.1.3

What's Changed
* Delete plots.ipynb by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/13
* refactor: rename hmtpbsa to unigbsa by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/14
* feat: add some new charge method by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/15
* feat: obtain net charge from molecular by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/17
* Update CI.yml by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/18
* Origin/scanparas by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/19
* fix Charge bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/20
* Origin/scanparas by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/22
* Scanparas by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/21
* Create python-publish.yml by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/24
* unigbsa-traj result bug by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/25


**Full Changelog**: https://github.com/dptech-corp/Uni-GBSA/compare/v0.0.8...v0.1.2

What's Changed
* Delete plots.ipynb by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/13
* refactor: rename hmtpbsa to unigbsa by Aunity in https://github.com/dptech-corp/Uni-GBSA/pull/14


**Full Changelog**: https://github.com/dptech-corp/Uni-GBSA/compare/v0.0.8...v0.1.0_pre