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Features to implement before submitting the publication

• Add a dialog for energy-dependent broadening.
• Add tests for the Quanty templates.
• Implement a proper way to shift the calculated spectra and offer alternative ways to shift them.
• Re-add the XES calculations, including proper treatment of charge transfer.
• Clarify what is actually calculated. In some cases, like XAS, the isotropic spectrum of a powder is well defined. In other cases, RIXS, for example, things are not that simple.