diis_unrestricted.h File Reference

DIISManagerUnrestricted class implementing direct inversion in the iterative subspace (DIIS) for unrestricted SCF calculations. More...

#include "diis_general.h"

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Classes
class	DIISManagerUnrestricted

Detailed Description

DIISManagerUnrestricted class implementing direct inversion in the iterative subspace (DIIS) for unrestricted SCF calculations.

Author

: Elias Rudberg responsible.