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lcpp-org / crane

A MOOSE application dedicated to general Chemical ReAction NEtworks for plasma chemistry and thermochemistry problems.
https://crane-plasma-chemistry.readthedocs.io/
GNU Lesser General Public License v2.1
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k(t=0) = 0 Fix #118

Closed smpeyres closed 10 months ago

smpeyres commented 10 months ago

All .C files within actions directory now evaluate values at INITIAL and TIMESTEP_BEGIN. This was to fix the issue #111 that reaction-based rate coefficients were incorrectly being evaluated as k = 0 at t = 0. It was found that this bug also applied to the evaluation of tabulated rate coefficients (i.e. EEDF-based reactions). The fix was verified with the two present tutorials, where both EEDF-based and equation-based rate coefficients now evaluate the correct non-zero value at t = 0.

Tagging @dcurreli for review.

@cticenhour This PR will also affect Zapdos when it calls CRANE, since AddZapdosReactions.C was modified. Not sure how this will affect the crane_action test suite and others. I image we can check by compiling and running tests before and after a CRANE submodule update after this is merged to the master branch? If some tests fail, I can try to adjust them and make a PR to Zapdos.

dcurreli commented 10 months ago

This looks great, we can merge

cticenhour commented 10 months ago

@smpeyres If you make a PR to Zapdos with a CRANE submodule update, then CIVET will tell us where things are failing across Linux and Mac. You can make further commits to fix the breakages up at that point, however way you'd like to address it as far as building locally.

Since the master->devel merge isn't functioning for the moment, feel free to point Zapdos to CRANE devel.