Class Scine::Utils::LcaoUtil::ElectronicOccupationGenerator¶
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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
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void
newScfCycleStarted
()¶ Notify that a new SCF cycle has started, allows to reinitialize some members if necessary.
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void