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(wittregr@udel.edu)\n\nDependencies\n------------\n\n-  Python3\n-  `Atomic Simulation Environment`_: Used for I/O operations and to\n   calculate some thermodynamic properties\n-  `Numpy`_: Used for vector and matrix operations\n-  `Pandas`_: Used to import data from Excel files\n-  `xlrd`_: Used by Pandas to import Excel files\n-  `SciPy`_: Used for fitting heat capacities and generating smooth curves for\n   reaction coordinate diagram\n-  `Matplotlib`_: Used for plotting thermodynamic data\n-  `pyGal`_: Similar to Matplotlib. Used for plotting interactive graphs\n-  `PyMongo`_: Used to read/write to databases\n-  `dnspython`_: Used to connect to databases\n-  `NetworkX`_: Used to plot reaction networks\n-  `More Itertools`_: Used for writing ranges for OpenMKM output.\n-  `PyYAML`_: Used to write YAML input files for OpenMKM.\n\nGetting Started\n---------------\n\n1. Install using pip (`see documentation for more thorough instructions`_)::\n\n    pip install pmutt\n\n2. Look at `examples using the code`_\n\n3. Run the `unit tests`_.\n\nLicense\n-------\n\nThis project is licensed under the MIT License - see the `LICENSE.md`_\nfile for details.\n\nPublications\n------------\n\n- J. Lym, G.R. Wittreich and D.G. Vlachos, A Python Multiscale Thermochemistry\n  Toolbox (pMuTT) for thermochemical and kinetic parameter estimation, Computer\n  Physics Communications (2019) 106864,\n  https://doi.org/10.1016/j.cpc.2019.106864.\n\nContributing\n------------\n\nIf you have a suggestion or find a bug, please post to our `Issues page`_ with \nthe |enhancement_label| or |bug_label| tag respectively.\n\nFinally, if you would like to add to the body of code, please:\n\n- fork the development branch\n- make the desired changes\n- write the appropriate unit tests\n- submit a `pull request`_.\n\nQuestions\n---------\n\nIf you are having issues, please post to our `Issues page`_ with the \n|help_wanted_label| or |question_label| tag. 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