Releases: tongzhugroup/mddatasetbuilder
Releases · tongzhugroup/mddatasetbuilder
v1.2.4
v1.2.4 (2019-07-07)
🐛 Bug Fixes
- apply PBC to bonds detected by OpenBabel (njzjz@abb9b23) by Jinzhe Zeng
v1.2.3
v1.2.2
v1.2.2 (2019-05-15)
🐛 Bug Fixes
- store out files instead of log files (njzjz@4cb6bb4) by Jinzhe Zeng
- update .gitignore (njzjz@96e9ce1) by Jinzhe Zeng
- revert (njzjz@e4369d2) by Jinzhe Zeng
v1.2.1
v1.2.1 (2019-04-16)
🐛 Bug Fixes
- add tqdm for prepare deepmd data (njzjz@960ca58) by Jinzhe Zeng
- use multiprocessing (njzjz@4fd030d) by Jinzhe Zeng
v1.2.0
v1.2.0 (2019-04-13)
🎉 New Features
- add support of reading dump files (njzjz@b02ba26) by Jinzhe Zeng
🐛 Bug Fixes
- typo (njzjz@228affe) by Jinzhe Zeng
- typo (njzjz@e88b66e) by Jinzhe Zeng
v1.1.13
v1.1.12
v1.1.11
v1.1.10
v1.1.10 (2019-02-21)
🐛 Bug Fixes
- bugfix (njzjz@87bc46c) by Jinzhe Zeng
- bugfix (njzjz@f72720f) by Jinzhe Zeng
v1.1.9
v1.1.9 (2019-02-15)
🐛 Bug Fixes
- performance (njzjz@f295be3) by Jinzhe Zeng
- performance (njzjz@1b74a79) by Jinzhe Zeng
- cython (njzjz@9f93e78) by Jinzhe Zeng
- bugfix (njzjz@93f12c1) by Jinzhe Zeng
- bugfix (njzjz@31dd662) by Jinzhe Zeng