| 1 | //
|
|---|
| 2 | // linkage.h
|
|---|
| 3 | //
|
|---|
| 4 | // Copyright (C) 1996 Limit Point Systems, Inc.
|
|---|
| 5 | //
|
|---|
| 6 | // Author: Curtis Janssen <cljanss@ca.sandia.gov>
|
|---|
| 7 | // Maintainer: LPS
|
|---|
| 8 | //
|
|---|
| 9 | // This file is part of the SC Toolkit.
|
|---|
| 10 | //
|
|---|
| 11 | // The SC Toolkit is free software; you can redistribute it and/or modify
|
|---|
| 12 | // it under the terms of the GNU Library General Public License as published by
|
|---|
| 13 | // the Free Software Foundation; either version 2, or (at your option)
|
|---|
| 14 | // any later version.
|
|---|
| 15 | //
|
|---|
| 16 | // The SC Toolkit is distributed in the hope that it will be useful,
|
|---|
| 17 | // but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|---|
| 18 | // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|---|
| 19 | // GNU Library General Public License for more details.
|
|---|
| 20 | //
|
|---|
| 21 | // You should have received a copy of the GNU Library General Public License
|
|---|
| 22 | // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
|
|---|
| 23 | // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
|
|---|
| 24 | //
|
|---|
| 25 | // The U.S. Government is granted a limited license as per AL 91-7.
|
|---|
| 26 | //
|
|---|
| 27 |
|
|---|
| 28 | #ifndef _chemistry_molecule_linkage_h
|
|---|
| 29 | #define _chemistry_molecule_linkage_h
|
|---|
| 30 |
|
|---|
| 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>
|
|---|
| 37 |
|
|---|
| 38 | #include <util/render/linkage.h>
|
|---|
| 39 | #include <math/scmat/linkage.h>
|
|---|
| 40 | #include <math/optimize/linkage.h>
|
|---|
| 41 |
|
|---|
| 42 | namespace sc {
|
|---|
| 43 |
|
|---|
| 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_;
|
|---|
| 56 |
|
|---|
| 57 | }
|
|---|
| 58 |
|
|---|
| 59 | #endif
|
|---|
