{"repo":"ReactionMechanismGenerator/T3","free":true,"listed":false,"github":"https://github.com/ReactionMechanismGenerator/T3","clone":"git clone https://github.com/ReactionMechanismGenerator/T3.git","description":"The Tandem Tool (T3) for automated chemical kinetic model development","language":"Python","stars":14,"topics":["kinetics","automation","quantum-chemistry","chemical-kinetics","sensitivity-analysis","python"],"license":"MIT","category":"workflow-automation","readme_excerpt":"The Tandem Tool (T3) for automated chemical kinetic model development T3 automates the development of detailed chemical kinetic models. Given a set of initial species and conditions, it produces a validated model with high-fidelity thermochemistry and rate parameters by iteratively combining RMG for model generation, Cantera for sensitivity analysis, and ARC for quantum mechanical calculations. ![T3 scheme][cycle] [cycle]: /grf/T3-circle.gif \"T3 scheme\" --- Features - Iterative refinement: runs RMG, identifies sensitive species and reactions via SA, computes accurate thermo/kinetics with ARC, and feeds the results back into the next iteration - Multiple SA adapters: constant TP/HP/UV, PFR, JSR, and brute-force ignition delay time (IDT) - Equivalence-ratio sweeps: fuel/oxidizer/diluent role taxonomy with automatic concentration computation across a grid of temperatures, pressures, and equivalence ratios - Uncertainty analysis: local and global UA via polynomial chaos expansion - Restart support: T3 can resume from any interrupted iteration --- Installation Prerequisites - Python 3.14+ - Conda (we recommend Miniforge) Quick start This clones and installs ARC, RMG-Py, RMG-database, and all external dependencies. See the full installation guide for manual installation and troubleshooting. --- Usage Create a YAML input file and run T3: A minimal input file looks like: See the input reference for all available options. --- Documentation See the full documentation for: - Installatio","default_branch":null,"files":null,"tree":[],"storefront":"/r/ReactionMechanismGenerator","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/ReactionMechanismGenerator/T3/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}