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Expose Gibbs free energy #416

Merged
merged 7 commits into from
Sep 10, 2024
Merged

Expose Gibbs free energy #416

merged 7 commits into from
Sep 10, 2024

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Yurlungur
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@Yurlungur Yurlungur commented Sep 9, 2024

PR Summary

This PR exposes the Gibbs free energy. I do this by transforming from the entropy in the base class. But of course, we could instead do the opposite. Individual EOS's may override the defaults but I only implemented the defaults in the base class and variant. Down the line we will need to expose proper passthroughs for EOSPAC and the tabulated EOS's. I also add missing documentation for entropy and free energy. This MR resolves #397 .

PR Checklist

  • Adds a test for any bugs fixed. Adds tests for new features.
  • Format your changes by using the make format command after configuring with cmake.
  • Document any new features, update documentation for changes made.
  • Make sure the copyright notice on any files you modified is up to date.
  • After creating a pull request, note it in the CHANGELOG.md file.
  • LANL employees: make sure tests pass both on the github CI and on the Darwin CI

If preparing for a new release, in addition please check the following:

  • Update the version in cmake.
  • Move the changes in the CHANGELOG.md file under a new header for the new release, and reset the categories.
  • Ensure that any when='@main' dependencies are updated to the release version in the package.py

@Yurlungur Yurlungur added the enhancement New feature or request label Sep 9, 2024
@Yurlungur Yurlungur self-assigned this Sep 9, 2024
singularity-eos/eos/eos_base.hpp Outdated Show resolved Hide resolved
test/test_eos_ideal.cpp Show resolved Hide resolved
test/test_eos_ideal.cpp Outdated Show resolved Hide resolved
@Yurlungur
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Thanks for the useful feedback, @aematts ! I addressed your comments. Can you re-review and approve at your convenience?

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Go!

@Yurlungur Yurlungur merged commit 0c953ae into main Sep 10, 2024
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@Yurlungur Yurlungur deleted the jmm/free-energy branch September 10, 2024 21:24
@jhp-lanl
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Thanks @Yurlungur ! This looks good to me. Thanks for adding the note about EOSPAC

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Gibbs Free Energy
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