MPQC  3.0.0-alpha
linkage.h
1 //
2 // linkage.h
3 //
4 // Copyright (C) 1997 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
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_qc_dft_linkage_h
29 #define _chemistry_qc_dft_linkage_h
30 
31 #include <chemistry/qc/dft/clks.h>
32 #include <chemistry/qc/dft/uks.h>
33 #include <chemistry/qc/dft/hsosks.h>
34 #include <chemistry/qc/dft/integrator.h>
35 #include <chemistry/qc/dft/functional.h>
36 #include <chemistry/qc/dft/am05.h>
37 #include <chemistry/qc/dft/solvent.h>
38 
39 namespace sc {
40 
41 ForceLink<RadialAngularIntegrator> dft_force_link_a_;
42 ForceLink<NElFunctional> dft_force_link_b_;
43 ForceLink<XalphaFunctional> dft_force_link_c_;
44 ForceLink<SlaterXFunctional> dft_force_link_d_;
45 ForceLink<Becke88XFunctional> dft_force_link_e_;
46 ForceLink<LYPCFunctional> dft_force_link_f_;
47 ForceLink<CLKS> dft_force_link_h_;
48 ForceLink<UKS> dft_force_link_i_;
49 ForceLink<VWN5LCFunctional> dft_force_link_j_;
50 ForceLink<VWN3LCFunctional> dft_force_link_k_;
51 ForceLink<PW92LCFunctional> dft_force_link_l_;
52 ForceLink<PBEXFunctional> dft_force_link_m_;
53 ForceLink<PBECFunctional> dft_force_link_n_;
54 ForceLink<P86CFunctional> dft_force_link_o_;
55 ForceLink<PW91XFunctional> dft_force_link_p_;
56 ForceLink<PW86XFunctional> dft_force_link_q_;
57 ForceLink<PZ81LCFunctional> dft_force_link_r_;
58 ForceLink<G96XFunctional> dft_force_link_s_;
59 ForceLink<VWN1LCFunctional> dft_force_link_t_;
60 ForceLink<VWN2LCFunctional> dft_force_link_u_;
61 ForceLink<VWN4LCFunctional> dft_force_link_v_;
62 ForceLink<PW91CFunctional> dft_force_link_w_;
63 ForceLink<HSOSKS> dft_force_link_x_;
64 ForceLink<VWNLCFunctional> dft_force_link_y_;
65 ForceLink<NewP86CFunctional> dft_force_link_z_;
66 ForceLink<AM05Functional> dft_force_link_aa_;
67 ForceLink<BEMSolventH> dft_force_link_ab_;
68 
69 }
70 
71 #endif
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14

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