Class Scine::Utils::FockDiisModifier

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

void initialize()

Initialize the SCF Modifier, to be overridden if necessary by the derived class.