diis_unrestricted.cc File Reference

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

#include <string.h>
#include "diis_unrestricted.h"
#include "output.h"
#include "solve_lin_eq_syst.h"
#include "utilities.h"

Detailed Description

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

Author

: Elias Rudberg responsible.