|
1 | | -# <img align="top" src="https://raw.githubusercontent.com/ReactionMechanismGenerator/RMG-Py/master/documentation/source/_static/rmg-logo-small.png"> RMG Py - Reaction Mechanism Generator (Python Version) |
| 1 | +# <img align="top" src="https://raw.githubusercontent.com/ReactionMechanismGenerator/RMG-Py/master/documentation/source/_static/rmg-logo-small.png"> Reaction Mechanism Generator (RMG) |
2 | 2 |
|
3 | | -This repository contains the Python version of Reaction Mechanism Generator |
4 | | -(RMG), a tool for automatically generating chemical reaction |
| 3 | +## Description |
| 4 | +This repository contains the Python version of **Reaction Mechanism Generator (RMG)**, |
| 5 | +a tool for automatically generating chemical reaction |
5 | 6 | mechanisms for modeling reaction systems including pyrolysis, combustion, |
6 | 7 | atmospheric science, and more. |
7 | 8 |
|
8 | | -It also includes CanTherm, the package for calculating thermodynamics, high-pressure-limit |
| 9 | +It also includes **CanTherm**, the package for calculating thermodynamics, high-pressure-limit |
9 | 10 | rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations. |
10 | 11 | CanTherm is compatible with a variety of ab initio quantum chemistry software programs, including but not limited to |
11 | 12 | Gaussian, MOPAC, QChem, and MOLPRO. |
12 | 13 |
|
13 | | -The most official repository can be found on github and is located at https://github.com/ReactionMechanismGenerator/RMG-Py. |
14 | | -Instructions on how to use RMG can be found in the [RMG Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/) including |
15 | | -details on [how to install RMG-Py](http://ReactionMechanismGenerator.github.io/RMG-Py/users/rmg/installation/index.html) |
16 | | -and its numerous dependencies. The [CanTherm Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/cantherm/) is also available online. |
17 | | - PDF versions of all the documentation can also be found in the documentation folder of the source code. |
| 14 | +## Source Code Repository |
| 15 | +- [RMG Github Repository](https://github.com/ReactionMechanismGenerator/RMG-Py): contains the latest source code for RMG |
| 16 | +- [RMG-database Github Repository](https://github.com/ReactionMechanismGenerator/RMG-database): contains source code for the latest version of the database |
18 | 17 |
|
| 18 | +## Latest Stable Release |
| 19 | +**RMG v1.0.2** |
19 | 20 |
|
| 21 | +View the [Release Notes](http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/releaseNotes.html). |
20 | 22 |
|
21 | | -RMG is developed primarily by researchers in |
22 | | -[Prof. William Green's research group](http://cheme.scripts.mit.edu/green-group/) at the |
| 23 | +## How to Install |
| 24 | +View the [Download and Install](http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation/index.html) page/ |
| 25 | + |
| 26 | +## Documentation |
| 27 | +- [RMG Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_and_CanTherm_Documentation.pdf)) |
| 28 | +- [CanTherm Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/cantherm/) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_and_CanTherm_Documentation.pdf)) |
| 29 | +- [RMG API Reference](http://reactionmechanismgenerator.github.io/RMG-Py/reference/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_API_Reference.pdf)) |
| 30 | + |
| 31 | +Alternatively, PDF versions of all the documentation can also be found in the `documentation` folder of the source code. |
| 32 | + |
| 33 | +## Credits |
| 34 | + |
| 35 | +- [Professor William H. Green's research group](http://cheme.scripts.mit.edu/green-group/) at the |
23 | 36 | [Massachusetts Institute of Technology](http://web.mit.edu/) |
24 | | -and [Prof. Richard West's research group](http://www.northeastern.edu/comocheng/) at |
| 37 | +- [Professor Richard H. West's research group](http://www.northeastern.edu/comocheng/) at |
25 | 38 | [Northeastern University](http://www.northeastern.edu/). |
26 | 39 |
|
| 40 | +## How to Give Feedback |
| 41 | + |
| 42 | +Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/) |
| 43 | +or email [[email protected]](mailto:[email protected]) if you have questions. |
| 44 | + |
| 45 | +## Useful Links |
| 46 | + |
| 47 | +- [Interactive Website](http://rmg.mit.edu): Visit this site to visualize RMG-generated models, view the databases, and |
| 48 | +perform thermodynamics and kinetics searches |
| 49 | +- [Wiki](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki): a wiki for developer notes |
| 50 | +- [Issues Page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/): view current issues and feature requests |
| 51 | + |
| 52 | + |
| 53 | +## Continuous Integration |
27 | 54 |
|
28 | 55 | We have a continuous integration build test suite |
29 | 56 | which you can access at https://travis-ci.org/ReactionMechanismGenerator/RMG-Py |
30 | 57 | The current build status is |
31 | 58 | [](https://travis-ci.org/ReactionMechanismGenerator/RMG-Py) |
32 | | - |
33 | | -Details of the (earlier established) Java version of RMG can be found |
34 | | -on [Sourceforge](http://rmg.sourceforge.net/) (although it too is |
35 | | -developed [here on github](https://github.com/ReactionMechanismGenerator/RMG-Java/)). |
36 | | - |
37 | | -Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/) |
38 | | -or email [[email protected]](mailto:[email protected]) if you have questions. |
39 | | - |
|
0 commit comments