svd.h

//
// svd.h
//
// Copyright (C) 2005 Edward Valeev
//
// Author: Edward Valeev <evaleev@vt.edu>
// Maintainer: EV
//
// This file is part of the SC Toolkit.
//
// The SC Toolkit is free software; you can redistribute it and/or modify
// it under the terms of the GNU Library General Public License as published by
// the Free Software Foundation; either version 2, or (at your option)
// any later version.
//
// The SC Toolkit is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU Library General Public License for more details.
//
// You should have received a copy of the GNU Library General Public License
// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
//
// The U.S. Government is granted a limited license as per AL 91-7.
//
 
#ifndef _chemistry_qc_mbptr12_svd_h
#define _chemistry_qc_mbptr12_svd_h
 
#include <math/scmat/matrix.h>
#include <math/scmat/blas.h>
 
namespace sc {
 
  void lapack_svd(const RefSCMatrix& A, RefSCMatrix& U, RefDiagSCMatrix& Sigma,
                  RefSCMatrix& V);
 
  double lapack_linsolv_symmnondef(const RefSymmSCMatrix& A, RefSCVector& X,
                                   const RefSCVector& B);
 
  double lapack_linsolv_symmnondef(const RefSymmSCMatrix& A, RefSCMatrix& X,
                                   const RefSCMatrix& B);
 
  double lapack_linsolv_symmnondef(const double* AP, int nA, double* Xt,
                                   const double* Bt, int ncolB);
 
  void lapack_invert_symmnondef(RefSymmSCMatrix& A,
                                double condition_number_threshold = 0.0);
 
  void lapack_dpf_symmnondef(const RefSymmSCMatrix& A, double* AF, blasint* ipiv,
                             double condition_number_threshold = 0.0);
 
  void lapack_invert_symmposdef(RefSymmSCMatrix& A,
                                double condition_number_threshold = 0.0);
 
  void lapack_linsolv_dpf_symmnondef(const double* A, int nA, const double* AF,
                                     const blasint* ipiv, double* Xt,
                                     const double* Bt, int ncolB,
                                     bool refine = true);
 
  double linsolv_symmnondef_jacobi(const RefSymmSCMatrix& A, RefSCVector& X,
                                   const RefSCVector& B);
 
  double linsolv_symmnondef_cg(const RefSymmSCMatrix& A, RefSCVector& X,
                               const RefSCVector& B);
 
  void lapack_cholesky_symmposdef(const RefSymmSCMatrix& A, double* AF,
                                  double condition_number_threshold = 0.0);
 
  void lapack_linsolv_cholesky_symmposdef(const double* A, int nA,
                                          const double* AF, double* Xt,
                                          const double* Bt, int ncolB,
                                          bool refine = true);
 
}
 
#endif
 
// Local Variables:
// mode: c++
// c-file-style: "CLJ"
// End: