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 

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