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Add gray data to converted IPCRESS file - #80

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alexrlongne wants to merge 3 commits into
lanl:mainfrom
alexrlongne:feature/ipcress2spiner_add_gray
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Add gray data to converted IPCRESS file#80
alexrlongne wants to merge 3 commits into
lanl:mainfrom
alexrlongne:feature/ipcress2spiner_add_gray

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@alexrlongne

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Background

  • This PR reads and converts the gray data in an IPCRESS file using the Gandolf reader utility. It also adds a tests that compares gray and multigroup values interpolated via the Spiner DataBox to values generated with Draco's ipcress reading utilities (https://github.com/lanl/Draco/tree/develop/src/cdi_ipcress)

Changes

  • Add gray fields for rosseland absorption, rosseland total and plank total (all the gray values that are there)
  • Always use log interpolation and remove the option
  • Add multiplier for number of density and temperature points
  • Fix bug where wrong dimension was being used in setting databox value
  • Add test to compare against gold interpolated values

+ Add function to interpolate gray opacities to interpolate_opacity.hpp
+ Add function to create a gray databox
+ Add keywords for gray opacity to list of databoxes to make
+ Move keyword definitions from spiner (not commited) to the
 singularity-opac/base/sp5.hpp file (similar to singularity-eos)
+ Fix type for print flag to be bool instead of double
+ Add converted file
+ Remove option for log interpolation and always use log
 interpolation
+ Add multiplier for interpolation points in spiner DataBox tables
+ Add gray opacity interpolation
+ Test interpolated values against Draco ipcress interpolated values

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We may not want to keep the test file in the repo as keeping hdf5 under version control can add up to big diffs over time. I would instead suggest stashing this in a release, similar to how we do things with singularity-eos. I can create a release containing just this file if you want.

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I see the release with the gold files. Is there a cmake example you can point me to that grabs those files and puts them in the test directory?

Comment thread singularity-opac/base/sp5.hpp Outdated
// ======================================================================
#ifndef SINGULARITY_OPAC_BASE_SP5_
#define SINGULARITY_OPAC_BASE_SP5_
// This file was made in part with generative AI.

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Putting this back in as I just added my own stuff.

@alexrlongne
alexrlongne force-pushed the feature/ipcress2spiner_add_gray branch from 0164b21 to bced6d9 Compare August 13, 2026 04:04
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2 participants