Class Scine::Utils::LcaoUtil::ElectronicOccupationGenerator

class ElectronicOccupationGenerator

This interface generates an ElectronicOccupation instance, from which the density matrix can be generated (in combination with the molecular orbitals).

Subclassed by Scine::Utils::LcaoUtil::AufbauPrincipleOccupationGenerator

Public Functions

void newScfCycleStarted()

Notify that a new SCF cycle has started, allows to reinitialize some members if necessary.