Chris B
Chris B
### Motivation or Problem addresses issue #2270. Cantera is deprecating the ".cti" output file type that RMG currently uses. for nicer features like coverage dependant thermo and kinetics, we need...
### Motivation or Problem people are having trouble installing rmg because it is using an old rms version, see issue #2290 ### Description of Changes changed the documentation to use...
### Motivation or Problem RMG doesn't properly use "save_input_file" for surfaces. this PR fixes that ### Description of Changes several typos in surface reactor objects were fixed, and initial_surface_coverages was...
### Motivation In some cases, in particular for surface systems, it is advantageous to exclude the training data for a given family, and only rely on the more general rules....
### Motivation or Problem RMG can often become "stuck" if there is a particular reaction that is causing the solver to fail. to alleviate this, an edge species is added...
### Motivation or Problem Issue #1981: sometimes rule-generated sticking coefficients can exceed 1, because of the reaction path degeneracy calculations. For example, a rate rule of A = 0.5 applied...
### Motivation or Problem currently RMG cannot use the "diffmodels" tool to compare surface+gas chemkin files. This means that we can't use a surface model in the CI tests, which...
I am using skopt version 0.9.0 and numpy 1.23.5 (due to an error I got that is specified in #1138). I found, after downgrading numpy from 1.24.1, that I had...
### Motivation or Problem See issue #2499, profiling and rmg execution showed that we spend a significant amount of time writing rms yaml output files. this pr adds an option...
### Bug Description This isn't necessarily an RMG/cantera bug, it is just a difference of how reactions are interpreted in each. For plog reactions, RMG represents multiple plog reactions in...