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Marius Retegan edited this page Apr 7, 2021
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- 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.
- 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. This needs to be clarified.
- Save/load functionality (not essential for the manuscript).
- Automatic parameters scan (not essential for the manuscript).