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This adds several lines to the Feff template to provide commented-out hints on how to modify it to run various calculations.

This addresses #12. Since it is adding only static text, it should not impact the creation of output files.

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@maurov FWIW, I tested running the web page with this branch, and it seems to be fine, so I set the production site at
https://larixite.seescience.org/ to use this branch.

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@maurov I think these changes have stabilized, and the folks in the Feff group are happier with the results here. I think this is safe to merge.

@newville newville merged commit bc7ff18 into main Sep 26, 2025
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maurov commented Sep 30, 2025

@newville thanks for all this, and sorry for the late reply

@maurov maurov deleted the improve_feff_template branch September 30, 2025 09:13
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@maurov No worries -- it was mostly just requests from the Feff group to make better Feff input files.

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3 participants