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Implement jacobian calculation and energy and angle transformation#3935

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GuySten:lab-com-pdf-sample
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Implement jacobian calculation and energy and angle transformation#3935
GuySten wants to merge 3 commits into
openmc-dev:developfrom
GuySten:lab-com-pdf-sample

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@GuySten
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@GuySten GuySten commented May 6, 2026

Description

This PR is a follow up to #3550.
In that PR angular pdf was calculated and outgoing energy was sampled for various kinematic probabilities.
The problem is that some angle energies are given in center of mass frame while we want the angular probabilities and energy in lab frame.

This PR fix that by implementing transformation between COM <->LAB and calculating the jacobian to convert angular probabilities between LAB <-> COM reference frames.

Checklist

  • I have performed a self-review of my own code
  • I have run clang-format (version 18) on any C++ source files (if applicable)
  • I have followed the style guidelines for Python source files (if applicable)
  • I have made corresponding changes to the documentation (if applicable)
  • I have added tests that prove my fix is effective or that my feature works (if applicable)

@GuySten GuySten requested a review from paulromano May 11, 2026 08:02
@GuySten GuySten marked this pull request as ready for review May 11, 2026 08:02
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Hi @GuySten,

Could you please add references for the equations used in the COM/LAB transformation and document the assumptions more explicitly? In particular, I’m mainly concerned about whether this derivation assumes a stationary target, since our original relativistic treatment allowed for target motion.

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GuySten commented May 24, 2026

I've used the equations from https://www.osti.gov/servlets/purl/2000872
That report contains equations for both target in motion and target at rest cases.
This PR implements both cases and in my latest PR I use each case when it is appropriate.
I will add equation documentation when I have some time.

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