Mddatasetbuilder

**Full Changelog**: https://github.com/tongzhugroup/mddatasetbuilder/compare/v1.3.3...v1.3.4

Breaking changes
* `Geom=PrintInputOrient` is added to default Gaussian keywords to print coordinates when the number of atoms is more than 50

Breaking changes
* the default `qmkeywords` in the command-line interface is now `force mn15/6-31g**`. `force` is not there before, but it's recommended to train force data

What's Changed
* fix: remove `load_ckpt` in deepmd-kit parameter by njzjz in https://github.com/tongzhugroup/mddatasetbuilder/pull/136
* chore(docs): add a citation badge by njzjz in https://github.com/tongzhugroup/mddatasetbuilder/pull/138
* breaking: add "force" to default cli Gaussian keywords; update cli docs by njzjz in https://github.com/tongzhugroup/mddatasetbuilder/pull/141


**Full Changelog**: https://github.com/tongzhugroup/mddatasetbuilder/compare/v1.3.2...v1.3.3

fix oxygen detection

A specific version for Nature Communications

:bug: Bug Fixes

- separate nprocjob from qmkeywords (https://github.com/njzjz/mddatasetbuilder/commit/5b77896f6cd50d2f985901fc13dd005bb1d23296) by Jinzhe Zeng

[v1.2.22...v1.2.23](https://github.com/njzjz/mddatasetbuilder/compare/v1.2.22...v1.2.23)