Assistance Required for Adding New Materials to PyNE with DAGMC
심규현 | 원자력공학과 | 한양대(서울)
I am a student currently working with DAGMC, and I am reaching out to seek your guidance on a technical issue I have encountered.
I am attempting to add a new material to PyNE that is not included in the PNNL materials compendium. I have tried entering the information for the new material into the materials_compendium.csv file, following the existing format. However, I am experiencing difficulties as uwuw_preproc does not seem to recognize the new material.
Could you please advise if there is a specific procedure or additional steps I should follow to successfully add new materials to PyNE? Any detailed instructions or resources you could provide would be greatly appreciated.
Thank you very much for your time and assistance.
Best regards,
Gyuhyeon Sim
Ahnaf Tahmid
Hello Gyuhyeon Sim,
Thank you for reaching out and for highlighting the issue you’ve encountered.
It's great to hear that you're working with DAGMC and PyNE! The materials compendium in PyNE is indeed a bit outdated, and we now have a new package called materials-compendium. Unfortunately, we don’t yet have direct integration with DAGMC for this package.
In the meantime, for the bug you're facing, I suggest adding an issue to either the PyNE repository so that we can track and address it accordingly. This will also help other users who might encounter similar problems.
Thank you for bringing this up, and feel free to follow up if you need any further assistance!
Best regards,
Ahnaf Tahmid Chowdhury
Paul Wilson
Hello all,
I don’t think this needs an issue…
If you need a new material for your problem, you can create it in your own material library, separate from materials compendium. This is generally the correct approach, as the materials compendium (although out of date, as Ahnaf indicated) is meant to be a fixed reference.
I don’t think the PyNE documentation has any good examples, but you can find an example of how we use PyNE to build a material library for a specific purpose here: https://github.com/svalinn/fusion-material-db/blob/main/pureMaterials/createPurematlib.py
Some variation of this would include copying materials from the compendium into your own individual material library for use on your project.
I hope that is helpful,
Paul
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