Mddatasetbuilder

Latest version: v1.3.10

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1.2.4

:bug: Bug Fixes

- apply PBC to bonds detected by OpenBabel (https://github.com/njzjz/mddatasetbuilder/commit/abb9b2345e037396cb5303ee693b659ba8df365a) by Jinzhe Zeng

[v1.2.3...v1.2.4](https://github.com/njzjz/mddatasetbuilder/compare/v1.2.3...v1.2.4)

1.2.3

:bug: Bug Fixes

- add tokens (https://github.com/njzjz/mddatasetbuilder/commit/67436cadb849c3560a71bfa65de3c7f885baa1b2) by Jinzhe Zeng

[v1.2.2...v1.2.3](https://github.com/njzjz/mddatasetbuilder/compare/v1.2.2...v1.2.3)

1.2.2

:bug: Bug Fixes

- store out files instead of log files (https://github.com/njzjz/mddatasetbuilder/commit/4cb6bb484bf461bfbac6c1e88c6f7feb111f7f01) by Jinzhe Zeng
- update .gitignore (https://github.com/njzjz/mddatasetbuilder/commit/96e9ce125240b9c394f9c836285c447a937f8245) by Jinzhe Zeng
- revert (https://github.com/njzjz/mddatasetbuilder/commit/e4369d2c0db498c325654786cfe20d053b68dfe5) by Jinzhe Zeng

[v1.2.1...v1.2.2](https://github.com/njzjz/mddatasetbuilder/compare/v1.2.1...v1.2.2)

1.2.1

:bug: Bug Fixes

- add tqdm for prepare deepmd data (https://github.com/njzjz/mddatasetbuilder/commit/960ca585a356cb38365db0062921805c89885bfa) by Jinzhe Zeng
- use multiprocessing (https://github.com/njzjz/mddatasetbuilder/commit/4fd030db7e81da90a4eed7bcc20bdc30a5e3e02d) by Jinzhe Zeng

[v1.2.0...v1.2.1](https://github.com/njzjz/mddatasetbuilder/compare/v1.2.0...v1.2.1)

1.2.0

:tada: New Features

- add support of reading dump files (https://github.com/njzjz/mddatasetbuilder/commit/b02ba26183d6cf53f1069996cca3dfdabcf9b0dc) by Jinzhe Zeng

:bug: Bug Fixes

- typo (https://github.com/njzjz/mddatasetbuilder/commit/228affe37ac426ebe75e38a75df2974dbe30d76e) by Jinzhe Zeng
- typo (https://github.com/njzjz/mddatasetbuilder/commit/e88b66e52ee73197e79ce84478824139f06d83a9) by Jinzhe Zeng

[v1.1.13...v1.2.0](https://github.com/njzjz/mddatasetbuilder/compare/v1.1.13...v1.2.0)

1.1.13

:bug: Bug Fixes

- remove py36 test (https://github.com/njzjz/mddatasetbuilder/commit/8bcd1c5e14c972183c0808860ee93f43fc90c8a6) by Jinzhe Zeng

[v1.1.12...v1.1.13](https://github.com/njzjz/mddatasetbuilder/compare/v1.1.12...v1.1.13)

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