28 #ifndef _chemistry_molecule_linkage_h 29 #define _chemistry_molecule_linkage_h 31 #include <chemistry/molecule/coor.h> 32 #include <chemistry/molecule/taylor.h> 33 #include <chemistry/molecule/molfreq.h> 34 #include <chemistry/molecule/molrender.h> 35 #include <chemistry/molecule/molshape.h> 36 #include <chemistry/molecule/fdhess.h> 38 #include <util/render/linkage.h> 39 #include <math/scmat/linkage.h> 40 #include <math/optimize/linkage.h> 44 static ForceLink<RedundMolecularCoor> molecule_force_link_a_;
45 static ForceLink<CartMolecularCoor> molecule_force_link_b_;
46 static ForceLink<SymmMolecularCoor> molecule_force_link_c_;
47 static ForceLink<TaylorMolecularEnergy> molecule_force_link_d_;
48 static ForceLink<MolecularFrequencies> molecule_force_link_e_;
49 static ForceLink<RenderedStickMolecule> molecule_force_link_f_;
50 static ForceLink<RenderedBallMolecule> molecule_force_link_g_;
51 static ForceLink<RenderedMolecularSurface> molecule_force_link_h_;
52 static ForceLink<VDWShape> molecule_force_link_i_;
53 static ForceLink<DiscreteConnollyShape> molecule_force_link_j_;
54 static ForceLink<ConnollyShape> molecule_force_link_k_;
55 static ForceLink<FinDispMolecularHessian> molecule_force_link_l_;