pengwann.descriptors.DescriptorCalculator.energies

property descriptors.DescriptorCalculator.energies

The energies at which the DOS and all derived descriptors have been evaluated.

Returns:

energiesndarray of float or None

The discrete energies at which the DOS and all derived quantities such as WOHPs or WOBIs have been evaluated. If these energies were not provided when the constructor was called, this property will simply return None.