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Add Analytic Electron-Ion Coupling to CDI #586

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merged 10 commits into from
Apr 4, 2019
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clevelam
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@clevelam clevelam commented Mar 19, 2019

Background

  • This commit adds basic Electron-Ion coupling models to the Common Data Interface (CDI). Thus far, we have only implemented an analytic constant electron-ion coupling model.

Purpose of Pull Request

Description of changes

  • Adds EICoupling model to CDI
  • This includes the addition of a EICoupling interface class in CDI
  • This includes the addition of a derived Analytic_EICoupling interface class that access EICoupling_Model functions
  • This includes the addition of an Analytic_EICoupling_Model base class
  • This includes the addition of an Analytic_Constant_EICoupling_Model derived class

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codecov bot commented Mar 20, 2019

Codecov Report

Merging #586 into develop will increase coverage by <.1%.
The diff coverage is 99.1%.

@@            Coverage Diff            @@
##           develop    #586     +/-   ##
=========================================
+ Coverage     93.7%   93.7%   +<.1%     
=========================================
  Files          377     380      +3     
  Lines        17665   17779    +114     
=========================================
+ Hits         16554   16667    +113     
- Misses        1111    1112      +1

@clevelam clevelam changed the title WIP: Add Analytic Electron-Ion Coupling to CDI Add Analytic Electron-Ion Coupling to CDI Mar 27, 2019
@clevelam
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@kgbudge Will you please look over this PR?

@KineticTheory
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@clevelam Rerunning the the checks on trinitite didn't fix those issues. I'll checkout your PR and attempt to run it manually. Something may have changed on trinitite during this week's DST.

@KineticTheory
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@clevelam As I expected, something has changed on trinitite. I'll consider that a separate issue and won't count the warnings from that machine against this PR.

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@clevelam This looks pretty good to me. I've requested a few minor changes, but I don't consider them to be blockers. I would like to get some feedback from @kgbudge, @jhchang-lanl and @warsa. It seems they should have some say in this design as they may need to adopt it.

src/cdi/test/tDummyEICoupling.cc Outdated Show resolved Hide resolved
src/cdi_analytic/Analytic_EICoupling.cc Show resolved Hide resolved
src/cdi_analytic/Analytic_EICoupling.hh Outdated Show resolved Hide resolved
src/cdi_analytic/Analytic_EICoupling.hh Show resolved Hide resolved
src/cdi/EICoupling.hh Outdated Show resolved Hide resolved
@berselius
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As you mention this can assume a mixture of ion species underneath - it would be good to have a test case that accepts such a mixture.

@KineticTheory
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@clevelam This looks to be very close to being done. Ping me when you think it is ready.

+ Fix cmake logic in find OpenBLAS

refs #1420
@KineticTheory
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Last set of changes looks good. All tests pass.

@KineticTheory KineticTheory merged commit 5c3d748 into lanl:develop Apr 4, 2019
@KineticTheory KineticTheory mentioned this pull request Jun 17, 2019
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3 participants