Class Scine::Utils::FockDiisModifier¶
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class
FockDiisModifier
: public Scine::Utils::SCFModifier¶ SCFModifier for the DIIS algorithm. This class does not perform directly the DIIS algorithm, it is like an interface between the SCF method and the class for the actual DIIS algorithm.
Public Functions
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void
initialize
()¶ Initialize the SCF Modifier, to be overridden if necessary by the derived class.
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void