Class Scine::Sparrow::dftb::ZeroOrderFock¶
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class
ZeroOrderFock
: public ElectronicContributionCalculator¶ Implementation of FockMatrixCalculator for DFTB0.
Public Functions
This function adds an additive electronic contribution to the Hamiltonian that will be evaluated each SCF iteration.
At zero order no SCF is done. This just calls the density independent version
This function adds an additive electronic contribution to the Hamiltonian that will be evaluated once per single-point calculation.