MPQC 2.3.1

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svd.h

    00001 //
    00002 // svd.h
    00003 //
    00004 // Copyright (C) 2005 Edward Valeev
    00005 //
    00006 // Author: Edward Valeev <edward.valeev@chemistry.gatech.edu>
    00007 // Maintainer: EV
    00008 //
    00009 // This file is part of the SC Toolkit.
    00010 //
    00011 // The SC Toolkit is free software; you can redistribute it and/or modify
    00012 // it under the terms of the GNU Library General Public License as published by
    00013 // the Free Software Foundation; either version 2, or (at your option)
    00014 // any later version.
    00015 //
    00016 // The SC Toolkit is distributed in the hope that it will be useful,
    00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of
    00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00019 // GNU Library General Public License for more details.
    00020 //
    00021 // You should have received a copy of the GNU Library General Public License
    00022 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
    00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
    00024 //
    00025 // The U.S. Government is granted a limited license as per AL 91-7.
    00026 //
    00027
    00028 #ifdef __GNUG__
    00029 #pragma interface
    00030 #endif
    00031
    00032 #ifndef _chemistry_qc_mbptr12_svd_h
    00033 #define _chemistry_qc_mbptr12_svd_h
    00034
    00035 #include <math/scmat/matrix.h>
    00036
    00037 using namespace std;
    00038
    00039 namespace sc {
    00040
    00041   namespace exp {
    00042
    00046     void lapack_svd(const RefSCMatrix& A,
    00047                     RefSCMatrix& U,
    00048                     RefDiagSCMatrix& Sigma,
    00049                     RefSCMatrix& V);
    00050
    00054     void lapack_linsolv_symmnondef(const RefSymmSCMatrix& A,
    00055                                    RefSCVector& X,
    00056                                    const RefSCVector& B);
    00057
    00061     void lapack_linsolv_symmnondef(const RefSymmSCMatrix& A,
    00062                                    RefSCMatrix& X,
    00063                                    const RefSCMatrix& B);
    00064
    00065   }
    00066 }
    00067
    00068 #endif
    00069
    00070 // Local Variables:
    00071 // mode: c++
    00072 // c-file-style: "CLJ"
    00073 // End:
    00074
    00075