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ADF: nuclear resonance vibrational spectroscopy (NRVS)

A partial vibrational Density-Of-States (PVDOS) has been implemented. It is only useful via the ADF-GUI, where atoms can be selected by the user, to view only the part of the vibrational spectrum related to those atoms. This is useful for analysis of NRVS spectra in bioinorganic chemistry for NRVS-active nuclei.

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