This depository is to provide some useful tools developed during Xiaorui's pursuing his PhD degree on Chemical Engineering (combustion chemistry). The majority of the scripts are based on the RMG and ARC package developed by Green group, MIT.

To set up this depository, you need to install ARC environment by Anaconda or Miniconda. Besides, you also need to add this package into your PYTHONPATH. For example, if the depository is cloned to your home directory ~/easy_rmg_model, please append export PYTHONPATH=$PYTHONPATH:~/easy_rmg_model.

There is a settings.py.example inside easy_rmg_model/easy_rmg_model. Please make a copy of this file by cp easy_rmg_model/easy_rmg_model/settings.py.example easy_rmg_model/easy_rmg_model/settings.py and modify the resulting settings.py according to your settings.

This project is licensed under the MIT License - see the LICENSE file for details.

If you are having issues, please post an issue or email me at [email protected]. I will try my best to help you.