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# linkage.h

    00001 //
    00002 // linkage.h
    00003 //
    00004 // Copyright (C) 1996 Limit Point Systems, Inc.
    00005 //
    00006 // Author: Curtis Janssen <cljanss@ca.sandia.gov>
    00007 // Maintainer: LPS
    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 #ifndef _chemistry_molecule_linkage_h
    00029 #define _chemistry_molecule_linkage_h
    00030
    00031 #include <chemistry/molecule/coor.h>
    00032 #include <chemistry/molecule/taylor.h>
    00033 #include <chemistry/molecule/molfreq.h>
    00034 #include <chemistry/molecule/molrender.h>
    00035 #include <chemistry/molecule/molshape.h>
    00036 #include <chemistry/molecule/fdhess.h>
    00037
    00038 #include <util/render/linkage.h>
    00039 #include <math/scmat/linkage.h>
    00040 #include <math/optimize/linkage.h>
    00041
    00042 namespace sc {
    00043
    00044 static ForceLink<RedundMolecularCoor> molecule_force_link_a_;
    00045 static ForceLink<CartMolecularCoor> molecule_force_link_b_;
    00046 static ForceLink<SymmMolecularCoor> molecule_force_link_c_;
    00047 static ForceLink<TaylorMolecularEnergy> molecule_force_link_d_;
    00048 static ForceLink<MolecularFrequencies> molecule_force_link_e_;
    00049 static ForceLink<RenderedStickMolecule> molecule_force_link_f_;
    00050 static ForceLink<RenderedBallMolecule> molecule_force_link_g_;
    00051 static ForceLink<RenderedMolecularSurface> molecule_force_link_h_;
    00052 static ForceLink<VDWShape> molecule_force_link_i_;
    00053 static ForceLink<DiscreteConnollyShape> molecule_force_link_j_;
    00054 static ForceLink<ConnollyShape> molecule_force_link_k_;
    00055 static ForceLink<FinDispMolecularHessian> molecule_force_link_l_;
    00056
    00057 }
    00058
    00059 #endif