Max Liu
Max Liu
The currently recommended installation method introduces a risk of shared library incompatibility due to mixed use of conda and pip. The following import error is the result. A similar error...
As highlighted by #1581 and #1582, there are a number of improvement which should be made to `importChemkinLibary.py` and the Chemkin file parser. Note that `importChemkinLibrary.py` is located in `RMG-database/scripts`,...
### Bug Description I encountered an error message during pdep network exploration in an RMG job: ``` Traceback (most recent call last): File "/home/mjliu/Code1/RMG-Py/rmg.py", line 173, in main() File "/home/mjliu/Code1/RMG-Py/rmg.py",...
I wrote this a long time ago when we were getting "attacked" by bots/scrapers which were bringing the website down, but I didn't end up pushing it. I don't know...
One of the main functions of the plot kinetics tool is to fit reverse rates for reactions. It does this using thermo data provided in the Chemkin input file. However,...
This PR adds a new thermo library which improves upon the existing SABIC_aromatics library. It includes more species, and 1D hindered-rotor corrections have been added to all species with rotors....
The Cp contribution of the methylenecyclobutane ring correction is very negative at high T: ``` entry( index = 17, label = "methylenecyclobutane", group = """ 1 [Cs,N] u0 {2,S} {4,S}...