diff --git a/README.md b/README.md index dc3c69e20e..0dbacaaf84 100644 --- a/README.md +++ b/README.md @@ -11,6 +11,8 @@ rate coefficients, and pressure dependent rate coefficients from quantum chemica CanTherm is compatible with a variety of ab initio quantum chemistry software programs, including but not limited to Gaussian, MOPAC, QChem, and MOLPRO. +*This branch is for the heterogeneous catalysis version!* (be sure to use the corresponding branch in the RMG-database) + ## Source Code Repository - [RMG Github Repository](https://github.com/ReactionMechanismGenerator/RMG-Py): contains the latest source code for RMG - [RMG-database Github Repository](https://github.com/ReactionMechanismGenerator/RMG-database): contains source code for the latest version of the database @@ -32,11 +34,17 @@ Alternatively, PDF versions of all the documentation can also be found in the `d ## Credits +RMG-Py is mostly a product of - [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/). +This version for heterogeneous catalysis is the result of efforts by +- [C. Franklin Goldsmith](https://vivo.brown.edu/display/cfgoldsm) at [Brown University](https://www.brown.edu/academics/engineering/) +- [Richard H. West](http://www.che.neu.edu/people/west-richard) at +[Northeastern University](http://www.che.neu.edu). + ## How to Give Feedback Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/) diff --git a/rmgpy/rmg/main.py b/rmgpy/rmg/main.py index dbf68f522b..df35317890 100644 --- a/rmgpy/rmg/main.py +++ b/rmgpy/rmg/main.py @@ -832,6 +832,10 @@ def logHeader(self, level=logging.INFO): logging.log(level, '# P.I.s: William H. Green (whgreen@mit.edu) #') logging.log(level, '# Richard H. West (r.west@neu.edu) #') logging.log(level, '# Website: http://reactionmechanismgenerator.github.io/ #') + logging.log(level, '# #') + logging.log(level, '# This heterogeneous catalysis branch developed by: #') + logging.log(level, '# Richard H. West (r.west@neu.edu) #') + logging.log(level, '# C. Franklin Goldsmith (franklin_goldsmith@brown.edu) #') logging.log(level, '#########################################################\n') # Extract git commit from RMG-Py diff --git a/rmgpy/version.py b/rmgpy/version.py index 93742df9a8..7276cfdd96 100644 --- a/rmgpy/version.py +++ b/rmgpy/version.py @@ -1,3 +1,3 @@ # This file describes the version of RMG-Py -__version__ = '1.0.4' \ No newline at end of file +__version__ = 'Cat-1.0'