Boltzmann integration #242
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…se Arrhenius rates in the Mock Boltzmann solver
…ing with replacement
After restart, make sure all data valid before using it. I don't think this could ever cause an incorrect result for a time step b/c the info should be exchanged prior to all calculations that influence the step. But, it can lead to (and has recently led to) to failing asserts in the primitive variable calculations.
…ata() out of conditional These are necessary in the boundary data section of M2ulPhyS::initIndirectionArrays(). However, previously they were called inside of the conditional if (NumBCelems > 0), which leads to a problem there are some mpi ranks that have no boundary elements.
Can cause problems when mixture->GetConservativesFromPrimitives(iUp, iState) gets called below.
…when E=0 the steady-state solution would be the delta function
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…tzmann-integration
In the SpongeZone ctor we have sigma = new ParGridFunction(&fes); *sigma = 0.; double *hSigma = sigma->HostWrite(); and the subsequent loop (prior to this commit) only set some entries in hSigma. On systems where a device is available, this process can lead to uninitialized values in the sigma field, b/c *sigma = 0 initializes the device memory and `sigma->HostWrite` immediately invalidates that (i.e., no copy is done) but then hSigma isn't fully initialized. In this commit, we eliminate the *sigma = 0. initialization in favor of setting all entries within the loop.
…tzmann-integration
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Addresses compilation error on Lassen
trevilo
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Jun 7, 2024
Necessary b/c of changes in PR #242.
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This PR demonstrates the one-way coupling between TPS and the Boltzmann solver
GridFunctionReactionderived from the base classReactionto handle reaction rates described asmfem::GridFunction.Reaction::computeRateCoefficientto take the dof index as an additional parameter. This additional parameter is only used byGridFunctionReaction. Breaks backward compatibility.bteto instantiate aGridFunctionReactionfrom the tps input file.TPS2Boltzmanninterface. These include: 1) the ability to count the number of reactions of typebtewhose rates need to be computed by the Boltzmann solver; 2) the ability to interpolate back to the high-order FE space used by the flow solver; 3) Additional python interfaces (get the equation of each reaction handled by Boltzmann, save the information stored in the interface to paraview, angular frequency of the electric fields, number of reactions, number of species, number of E field components, etc).The Python script
tps-time-loop.pydemonstrates the functionality of the coupled interface. This example uses Arrhenius reaction rates that are computed in python and then passed to the TPS solver to verify the implementation.An input file to run this example can be found here.
Milinda's python driver for compiling with the 0D_3V solver has been renamed as:
src/tps-bte_0d3v.py