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ACEtk data generation for electron library#400

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melekderman wants to merge 9 commits into
mcdc-project:devfrom
melekderman:feature/electron-Acetk
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ACEtk data generation for electron library#400
melekderman wants to merge 9 commits into
mcdc-project:devfrom
melekderman:feature/electron-Acetk

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@melekderman melekderman commented Apr 16, 2026

Summary of changes

Adds an electron data library generator that converts EPRDATA14 ACE-format electron/photon/relaxation data into MC/DC's HDF5 format for continuous-energy electron transport. The generator mirrors the structure of the existing neutron data generator, producing per-element HDF5 files (Al.h5, etc.) under an electron_reactions/ group with MT-numbered reaction channels (MT-526 bremsstrahlung, MT-527 excitation, MT-528 elastic, MT-534+ ionization per subshell) and a separate atomic_relaxation/ group for fluorescence and Auger transition data.

Types of changes

  • New feature (non-breaking change which adds functionality)

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This script generates MC/DC electron data by reading ACE files and creating HDF5 datasets for various properties, including cross sections and atomic relaxation data.
Added detailed README for MC/DC Electron Data Library Generator, including prerequisites, environment variables, usage instructions, and output schema.
Refactor electron reaction groups and datasets in generate.py
@melekderman melekderman changed the title Feature/electron acetk WIP - Feature/electron acetk Apr 16, 2026
@melekderman melekderman changed the title WIP - Feature/electron acetk ACEtk data generation for electron library Apr 16, 2026
@melekderman melekderman added the enhancement New feature or request label Apr 16, 2026
@melekderman melekderman added this to the v0.13.0 milestone Apr 16, 2026
@melekderman melekderman marked this pull request as ready for review April 16, 2026 05:09
@melekderman melekderman self-assigned this Apr 16, 2026
@melekderman melekderman requested a review from ilhamv April 16, 2026 05:09
@melekderman melekderman marked this pull request as draft April 16, 2026 07:36
@melekderman melekderman changed the title ACEtk data generation for electron library WIP - ACEtk data generation for electron library Apr 16, 2026
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Looks great to me - Thanks, @melekderman!

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ilhamv commented Apr 20, 2026

Is this ready for merging, @melekderman?

@melekderman melekderman changed the title WIP - ACEtk data generation for electron library ACEtk data generation for electron library Apr 29, 2026
@melekderman
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Hi @ilhamv,

I’ve made some changes and updates:

  • I’ve created separate folders for different particles (neutron and electron for now).
  • I’ve fixed some name mismatches.
  • I’ve updated a few outdated README instructions.

It’s ready to merge after your review.

One more thing, I believe we should add a script to the top folder (data_library_generation) so that users can prepare multiple datasets (nuclides and elements) or a dataset for multiple particles (e.g., electron and photon in the same file). What are your thoughts on this?

@melekderman melekderman marked this pull request as ready for review April 29, 2026 01:21
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2 participants