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Merge pull request #24 from njzjz/dev
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fix issues
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njzjz authored Feb 2, 2019
2 parents 31b3cb0 + 04385e3 commit 5a448c1
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2 changes: 1 addition & 1 deletion docs/README.md
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Expand Up @@ -17,7 +17,7 @@ MDDatasetBuilder is a script to build molecular dynamics (MD) datasets for neura
[![Research Group](https://img.shields.io/website-up-down-green-red/http/computchem.cn.svg?label=Research%20Group)](http://computechem.cn)

## Requirements
* Python 3.6
* Python 3.6 - 3.7
* Python packages: [numpy](https://github.com/numpy/numpy), [scikit-learn](https://github.com/scikit-learn/scikit-learn), [ASE](https://gitlab.com/ase/ase), [GaussianRunner](https://github.com/njzjz/gaussianrunner), [tqdm](https://github.com/tqdm/tqdm), [coloredlogs](https://github.com/xolox/python-coloredlogs)
* Software: [Gaussian 16](http://gaussian.com/), [DeePMD](https://github.com/deepmodeling/deepmd-kit)

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1 change: 0 additions & 1 deletion setup.py
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"Operating System :: Microsoft :: Windows",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Programming Language :: JavaScript",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules",
"Topic :: Software Development :: Version Control :: Git",
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