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Add FDMNES documentation and usage #304

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Add FDMNES documentation and usage #304

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@HailiJia HailiJia commented Jan 5, 2026 •
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  • Added FDMNES to README and basic usage notebook.
  • Added FDMNES-simulated anatase spectra generated with lightshow’s default FDMNES input.
  • Added FDMNES to the spectrum comparison notebook.

(All tests pass locally, CI failed due to missing API key)

@HailiJia HailiJia marked this pull request as ready for review January 5, 2026 22:47
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