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Fix the issue with the theoretical spectra #158

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georgievgeorgi
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  • crystal and vasp simulation examples are added
  • fix and simplify the notebook

- crystal and vasp simulation examples are added
- fix and simplify the notebook
@georgievgeorgi georgievgeorgi linked an issue Sep 16, 2024 that may be closed by this pull request
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FileStatementsMissingCoverageCoverage
(new stmts)
Lines missing
  src/ramanchada2/auxiliary/spectra
  __init__.py
  src/ramanchada2/auxiliary/spectra/simulated
  __init__.py
  src/ramanchada2/spectrum/creators
  from_simulation.py 45-60
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This report was generated by python-coverage-comment-action

@georgievgeorgi georgievgeorgi merged commit a6a6c4d into main Sep 17, 2024
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@georgievgeorgi georgievgeorgi deleted the 152-theoretical-spectrum-reader-fails-possibly-pydantic-error branch September 17, 2024 15:23
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theoretical spectrum reader fails (possibly pydantic error)
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