Matt Johnson
Matt Johnson
I have a conda environment I construct independently of Julia's conda I would like to link PyCall to. This used to work entirely fine. However, now when I define ENV["PYTHON"]...
Adds transitory edge analysis species selection algorithm to RMG. RMS dual PR with https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl/pull/196.
Enables RMG to operate on solid electrolyte interface conditions in Li-ion batteries. Adds Li atoms, adds electrochemical reactions, adds a liquid-catalysis reactor and upgrades tree generation adding corrections for kinetic...
Adds the new simulation least squares (SLS) methods and the Georgievskii et al. 2013 CSE variant. Also enables negligence of energy transfer in high energy grains in the master equation...
This has four main changes 1) Enables tree generation for charge transfer families 2) Updates tree generation, if E0 < 0 or n = 1 it simply uses the average...
This PR fixes issues with pdep sensitivity that cause sensitivity analysis fallbacks to fail and pdep sensitivities to show sensitivity to unimportant barriers and wells. This enables the user to...
I've been trying to conda package a python software I wrote that's dependent on pyjulia and I've been trying to write a conda recipe for pyjulia. This comes with the...
For Jacobians that are almost sparse except for a couple rows and columns that are entirely dense it'd be handy to be able to exploit the sparsity by calculating the...
This PR primarily focuses on the addition of the Rx and Rx!H atomtypes along with a few bugfixes.
I was contacted and asked about a potential issue with the critical pressure estimation in RMG. Critical pressure is computed using Joback method described: Joback & Reid (1987): (https://doi.org/10.1080/00986448708960487[)](https://doi.org/10.1080/00986448708960487)) Joback’s...