Merge pull request #2320 from ReactionMechanismGenerator/arkane_readme

Added a readme file for Arkane

README.md

@@ -17,7 +17,7 @@ atmospheric science, and more.
 It also includes **Arkane**, the package for calculating thermodynamics, high-pressure-limit
 rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations.
 Arkane is compatible with a variety of ab initio quantum chemistry software programs:
-Gaussian, MOPAC, QChem, and MOLPRO.
+Gaussian, Q-Chem, Molpro, Orca, Psi4, and TeraChem.
 
 ## Source Code Repository
 - [RMG Github Repository](https://github.com/ReactionMechanismGenerator/RMG-Py): contains the latest source code for RMG
@@ -34,33 +34,39 @@ Please see the [Download and Install](http://reactionmechanismgenerator.github.i
 
 ## How to Contribute
 Please see the [Contributor Guidelines](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki/RMG-Contributor-Guidelines)
-for details on how to contribute to RMG-Py or RMG-database.
+for details on how to contribute to RMG-Py, Arkane, or RMG-database.
 
 ## How to Give Feedback
 
 Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/)
 or drop in to the [chat room](https://gitter.im/ReactionMechanismGenerator/RMG-Py) or email [rmg_dev@mit.edu](mailto:rmg_dev@mit.edu) if you have questions.  
 
 ## Useful Links
-
 - [Interactive Website](https://rmg.mit.edu): Visit this site to visualize RMG-generated models, view the databases, and 
 perform thermodynamics and kinetics searches
 - [Wiki](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki): a wiki for developer notes
 - [Issues Page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/): view current issues and feature requests
 
 ## Credits
-
 - [Professor William H. Green's research group](http://cheme.scripts.mit.edu/green-group/) at the 
 [Massachusetts Institute of Technology](http://web.mit.edu/) 
 - [Professor Richard H. West's research group](http://www.northeastern.edu/comocheng/) at 
 [Northeastern University](http://www.northeastern.edu/). 
 
 ## Resources and References
-
 The resources and relevant publications are listed [here](https://rmg.mit.edu/resources) on the RMG-website. 
 Please at least cite our latest publication on Reaction Mechanism Generator v3.0 and other
 relevant publications when publishing the results using our software.
 
-## License Information
+## How to cite
+Please include the following two citations if RMG and/or Arkane were used for an academic study:
+- C.W. Gao, J.W. Allen, W.H. Green, R.H. West,
+  [Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms](https://doi.org/10.1016/j.cpc.2016.02.013),
+  Computer Physics Communications 2016, 203, 212-225.
+- M. Liu, A. Grinberg Dana, M.S. Johnson, M.J. Goldman, A. Jocher, A.M. Payne, C.A. Grambow, K. Han, N.W. Yee,
+  E.J. Mazeau, K. Blondal, R.H. West, C.F. Goldsmith, W.H. Green,
+  [Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation](https://doi.org/10.1021/acs.jcim.0c01480),
+  Journal of Chemical Information and Modeling 2021, 61(6), 2686-2696.
 
-RMG is a free, open-source software package (distributed under the [MIT/X11 license](https://github.com/ReactionMechanismGenerator/RMG-Py/blob/main/LICENSE.txt)).
+## License Information
+RMG is a free, open-source software package (distributed under the [MIT/X11 license](https://github.com/ReactionMechanismGenerator/RMG-Py/blob/main/LICENSE.txt)).

arkane/README.md

@@ -0,0 +1,35 @@
+# Automated Reaction Kinetics and Network Exploration (Arkane)
+
+## Description
+Arkane is a Statistical Mechanics, Thermodynamics, Transition State Theory,
+and Master Equation Software. It is used for calculating species thermodynamic properties,
+high-pressure-limit rate coefficients, and pressure-dependent rate coefficients from
+quantum chemical calculations.
+Arkane is compatible with a variety of ab initio quantum chemistry software programs:
+Gaussian, Q-Chem, Molpro, Orca, Psi4, and TeraChem.
+
+## Source Code Repository
+Arkane is distributed via the [RMG-Py repository](https://github.com/ReactionMechanismGenerator/RMG-Py)
+as a [root module](https://github.com/ReactionMechanismGenerator/RMG-Py/tree/main/arkane).
+
+## How to Install
+Please follow the [installation instructions](http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation/index.html)
+for RMG-Py.
+
+## Documentation
+- [RMG Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/rmg/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/main/documentation/RMG-Py_and_Arkane_Documentation.pdf))
+- [Arkane Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/arkane/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/main/documentation/RMG-Py_and_Arkane_Documentation.pdf))
+- [RMG API Reference](http://reactionmechanismgenerator.github.io/RMG-Py/reference/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/main/documentation/RMG-Py_API_Reference.pdf))
+
+## How to Contribute
+Please see the [Contributor Guidelines](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki/RMG-Contributor-Guidelines)
+for details on how to contribute to RMG-Py or RMG-database.
+
+## How to Give Feedback
+Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/)
+or drop in to the [chat room](https://gitter.im/ReactionMechanismGenerator/RMG-Py) or email [rmg_dev@mit.edu](mailto:rmg_dev@mit.edu) if you have questions.  
+
+## License Information
+Arkane is distributed via the RMG-Py repository.
+RMG is a free, open-source software package
+(distributed under the [MIT/X11 license](https://github.com/ReactionMechanismGenerator/RMG-Py/blob/main/LICENSE.txt)).