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AMReX-Combustion / PeleLM

An adaptive mesh hydrodynamics simulation code for low Mach number reacting flows
https://amrex-combustion.github.io/PeleLM/
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reaction source termand diffusion term #236

Open czc-zju opened 2 years ago

czc-zju commented 2 years ago

Hi, everyone, I would like to ask you a question. I want to export the reaction source term and diffusion term during the calculation, so how do I set it in the input file? ,

esclapez commented 2 years ago

The reaction term can be added to the pltfile using: ns.plot_reactions = 1 The diffusion term is not available as a runtime option at this point. You would have to go into the code and add a couple of lines to write the data to disk. Are you interested in doing this as a one shot or to include that is all your pltfiles ?

czc-zju commented 2 years ago

If they can be got it, it's definitely the best. Otherwise, I want to get the diffusion coefficients and reaction rates of the species, and then get the parameters that I want through post-processing.

drummerdoc commented 2 years ago

@esclapez It seems like we should be able to write the A, D and R terms that led to the final update at each level. It's a lot of data, but potentially useful. Not super high priority, but maybe something for the TODO list.

@czc-zju The thing that's a bit harder, and potentially much larger is the full set of production rates for each reaction in the system, or the average of them over the time step. If you wanted to understand the chemical paths you would need this info, but we typically look at that in post processing. It's a huge amount of temporary data bloat that one typically ends up integrating down to a tiny data set to plot, so writing this into a plot file is not a great idea.