Pinned Repositories
2020-software-fellow-posters
ARC
ARC - Automatic Rate Calculator
autoQM
A Software for Large Scale Quantum Mechanic Calculations
AutoTST
AutoTST: A framework to perform automated transition state theory calculations
HLCI
Huckel-Lewis configuration interaction
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
ARC
ARC - Automatic Rate Calculator
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
TCKDB
Theoretical Chemical Kinetics Database
alongd's Repositories
alongd/cantera-jupyter
Cantera examples in the form of Jupyter notebooks
alongd/symmetry
S. Patchkovskii brute force symmetry analyzer
alongd/Work-In-Progress_scripts
Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc