Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Exception for the case in which an unrestricted or triplet TD-DFTB calculation is asked for, but no spin constants are available. More...
#include <Exceptions.h>
Exception for the case in which an unrestricted or triplet TD-DFTB calculation is asked for, but no spin constants are available.