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CEPTR: PLOG reaction support at constant pressure #549
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* pin intel-oneapi version in CI (AMReX-Combustion#541) * Bump Submodules/amrex from `8349789` to `00e6f75` (AMReX-Combustion#540) Bumps [Submodules/amrex](https://github.com/AMReX-Codes/amrex) from `8349789` to `00e6f75`. - [Release notes](https://github.com/AMReX-Codes/amrex/releases) - [Commits](AMReX-Codes/amrex@8349789...00e6f75) --- updated-dependencies: - dependency-name: Submodules/amrex dependency-type: direct:production ... Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Bruce Perry <[email protected]> * Make EOS functions templates to allow for CellData as an argument (AMReX-Combustion#536) * template for celldata in EOS * static asserts in templates * templating for RY2 functions for all EOS * Fix clang-tidy (AMReX-Combustion#535) * fix unused variable * free shared ptr for manfunc parm --------- Co-authored-by: Marc T. Henry de Frahan <[email protected]> * Unit conversions (AMReX-Combustion#539) * Utilities and unit conversions * Formatting * 2 structs and renamed functions to avoid macros issue * Templating and namespaces * Added Utilities to Docs * Overload instead of templating * Fixed nested namespaces for clang-tidy error in PeleLMeX, removed Utilities.H from PelePhysics.H.wq (AMReX-Combustion#545) * Update CI to ubuntu-24.04 (AMReX-Combustion#546) --------- Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: Bruce Perry <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Marc T. Henry de Frahan <[email protected]> Co-authored-by: Dave Montgomery <[email protected]> Co-authored-by: Jon Rood <[email protected]>
Latest updates
ceptr: Added functionality for reading and converting PLOG reactions.
Thank you for doing this! Do you have a small mech that you could add to the PR as and example? |
Adding example mechanism for PLOG evaluation
Thanks for the submission @terencelehmann For Discussion:
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I was going to suggest indicating the pressure in a |
The catch is this won't work for specifying the pressure through an input prompt as its set up now. Ideally we'd have a way to specify the pressure for mechanisms with plogs as a command line argument when running this command or perhaps put that information into the list_mech file and parse it from there so it could be specified for mechanisms individually. |
Bumps [Submodules/amrex](https://github.com/AMReX-Codes/amrex) from `00e6f75` to `f27eb69`. - [Release notes](https://github.com/AMReX-Codes/amrex/releases) - [Commits](AMReX-Codes/amrex@00e6f75...f27eb69) --- updated-dependencies: - dependency-name: Submodules/amrex dependency-type: direct:production ... Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
* simplify templated functions in EOS.cpp * rearrange template specializations in EOS.cpp so they are all in header; improve speciesNames function for manifold * SYCL ifdef for manifold speciesnames * pass host eosparm to reactors * ignitionDelay: remove one invalid call for manifold eos * fix dumb bug * clang-tidy unused arguments
Upstream pull
pull main into ceptr_development
…_pressure var into mechanism object
Ceptr development
update sundials - sycl 2025 fix (AMReX-Combustion#551)
I have now fixed the issues mentioned above. Also, in this new version, I have used the pressure attribute in the Cantera mechanism object /Solution class to store the pressure rather than in a global variable in ceptr.utilities. |
Looks good. Thanks for the updates - I like getting rid of global variables as well. I'd like to add some documentation for PLOGs in CEPTR: ITV-RWTH#10 If that documentation looks good, I think we can merge this. |
add docs on plog mechanism conversion
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Thanks again for the contribution!
Suggestion for #538 at constant pressure, which is provided by the user when converting the mechanism.
Changes to code:
Tests:
Possible improvements:
(https://github.com/AMReX-Combustion/PelePhysics/discussions/487#discussioncomment-8976018) a check might be even better. However, I do not know how to do that.