Class Scine::Sparrow::nddo::OneCenterIntegralContainer¶
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class
OneCenterIntegralContainer
¶ This class contains smart pointers to one-center two-electron matrices for the atoms in the AtomCollection. Since they are equal for an element type, they are calculated only once per element type.
Public Functions
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void
clear
()¶ Clear all the contained objects (replaces the pointers by nullptr and deletes the objects).
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void