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Add FDMNES documentation and examples - #301

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HailiJia wants to merge 6 commits into
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Add FDMNES documentation and examples#301
HailiJia wants to merge 6 commits into
AI-multimodal:masterfrom
HailiJia:master

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@HailiJia

@HailiJia HailiJia commented Jan 5, 2026

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  • Added FDMNES to the README and basic usage notebook.
  • Added FDMNES-simulated anatase spectra generated with Lightshow’s default FDMNES input.
  • Added FDMNES in spectrum comparison notebook.

@HailiJia HailiJia closed this Jan 5, 2026
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