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Manifold Models: Tables and Network capability, wrappers in EOS, Transport #492

Merged
merged 98 commits into from
Jun 28, 2024
Merged

Manifold Models: Tables and Network capability, wrappers in EOS, Transport #492

merged 98 commits into from
Jun 28, 2024

Commits on May 3, 2024

  1. manifold/table EOS support

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  2. Convert tabs to spaces

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  3. Initial framework for neural net based manifold EoS 

    Still need to generalize TabFuncParams and TabFuncData and work the neural net into the existing EoS framework
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  4. Tentative start to NNFuncParams and NNFuncData

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  5. Use generalize ManifoldFunc class instead of using TabFunc directly

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  6. Migrate get_var_index; have TabFuncData inherit from ManFuncData 

    - Moved get_var_index to ManifoldFunc.H instead of EosParams.H
- Shortened get_var_index arglist
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  7. Switch fully over to using generic ManFuncData struct when possible

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  8. Mostly complete setup (I hope) for neural net manifold 

    - Still need to calculate source terms
- Still need to account for variables passed to input layer
- Maybe we can worry about GPUs later
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  9. Set up neural net manifold to evaluate source terms 

    - This style of manifold will print all of the metadata properly, but SEGFAULTs at some point in EosEval/main.cpp
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  10. Fixed SEGFAULT

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  11. Non-crashing version of neural net manifold

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  12. Switch manifold model selection to runtime parameter

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  13. Add variable indices to NeuralNet manifold parameter defs

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  14. Let manifold models read in mass fractions prefixed with Y-

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  15. A few fixes to let IgnitionDelay run with neural net

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  16. Make including training variables (mass fractions) in output variable… 

    …s optional
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  17. Allow for reading of manifold biases from info file

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  18. Fix an issue with calculating derivatives; add semicolon

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  19. Switch to different initialization for iss

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  20. Merge pull request #1 from baperry2/manifold 

    Combined Source Term lookups
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  21. Use correct accessor dimension in loop bound

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  22. Changes in Eos/ and Transport/ to permit home-rolled evaluation

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  23. Add a few checks to ensure the input is valid

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  24. Merge branch 'kiraneiden/manifold' of github.com:KiranEiden/PelePhysi… 

    …cs into kiraneiden/manifold
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  25. Avoid editing nnf_data, make indata_copy local again

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  26. Implement 'get_all_values' function

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  27. add inverse density option

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  28. merge in updated pelephysics

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  29. move new EOS files to Source/Eos

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  30. other updates for EOS bringing in manifold

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  31. constraints for physics combinations with manifold

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  32. stuff for building with manifold transport

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  33. bring in manifold transport

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  34. changes to compile manifold stuff

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  35. table lookup improvement

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  36. EosEval test case

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  37. clang-format new EOS stuff

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  38. more formatting

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  39. a few more missed files for formatting

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  40. fix mangles make.package

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  41. locate is a host device function

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  42. address codespell issues

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  43. move blackboxfunc to its own utility rather than part of eos

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  44. gmake for moved blackboxfunc

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  45. don't initialize idx_Wdot to avoid issues

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  46. add some runtime gamma support, but warn because its risky

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  47. dont compute wdot in test for gammalaw

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  48. fix some bugs on cuda

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  49. remove some hacks for manifold eos

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  50. try running manifold in CI

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  51. add_mani_src stuff change default in manifold EOS

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  52. updates for Manifold in TranEval

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  53. remove ProductionRateEval - EosEval tests the same thing

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  54. partial removal of wdot stuff from black box funcs

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  55. some sample network stuff

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Commits on May 17, 2024

  1. new generic parameter stuff

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  2. working template + Factory stuff

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  3. updates to PeleParamsGeneric for templating

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  4. move ManFuncData out of ManFuncParams

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  5. improved GPU data management with templating

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  6. remove old manfuncdata stuff

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  7. remove a bunch of stupid test code

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  8. start moving transport to new GPU data template

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  9. trans stuff initialize using eos stuff

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  10. clang-format and remove an old file

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  11. remove unneeded file

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  12. Merge branch 'development' into last-manifold-rebase

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  13. more clang-format

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  14. fix spelling

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  15. remove network evaluator using pytorch library for now

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  16. clean up test cases; finish removing pytorch lib dep

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  17. remove deprecated ManFuncParams class

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  18. Add override tag to remove warning

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  19. fix transport test in CI for manifold to use right chemistry

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Commits on May 18, 2024

  1. add netork inputs file for transport

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Commits on May 20, 2024

  1. no transparm in reacteval

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  2. no transparm in ignition delay

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Commits on May 24, 2024

  1. table dimensionality templates

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  2. modify error checking in table

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Commits on May 28, 2024

  1. compile time choice of network vs table for manifold

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  2. Merge branch 'development' into last-manifold-rebase

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  3. add factory function for blackboxfunc

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Commits on May 30, 2024

  1. move interpolation functions outside of table class for templating

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  2. don't compile with Manifold for SYCL 

    final compilation change for no manifold with sycl
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  3. rename ManifoldFunc to BlackBoxFunc

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  4. 1D table if not manifold EOS

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  5. revert some changes in ci workflow

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  6. remove duplicate NUM_ELEMENTS in Null mech

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  7. fix a bunch of compiler warnings

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  8. fix a bunch more warnings

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Commits on Jun 7, 2024

  1. Merge branch 'development' into last-manifold-rebase

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  2. streamline data storage for manifold models

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  3. don't need changes in Make.package

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  4. fix all clang-tidy stuff

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Commits on Jun 14, 2024

  1. change species index from is to i in Eos loops

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  2. style changes in EosParams

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  3. use more verbose names in black box function stuff

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  4. Merge branch 'development' into last-manifold-rebase

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