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Write test for Absorption / GBOM spectra #9

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ChristopherAMyers opened this issue Jul 1, 2023 · 0 comments
Open

Write test for Absorption / GBOM spectra #9

ChristopherAMyers opened this issue Jul 1, 2023 · 0 comments

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@ChristopherAMyers
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ChristopherAMyers commented Jul 1, 2023

Write test for Absorption / GBOM spectra

The following need to be generated and compared to reference

  • absorption spectra
  • spectral density
  • resonance raman

This must be done for each method:

  • Eopt-Avg
  • E-ZTFC
  • Cumulant
  • Eopt-avgCumulant (Batch only)
@ChristopherAMyers ChristopherAMyers changed the title Write test for Absorption / MD / Ohmic spectra Write test for Absorption / GBOM spectra Jul 1, 2023
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