MPQC  3.0.0-alpha
linkage.h
1 //
2 // linkage.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Edward Seidl <seidl@janed.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_scf_linkage_h
29 #define _chemistry_qc_scf_linkage_h
30 
31 #include <mpqc_config.h>
32 
33 #include <chemistry/qc/scf/clhf.h>
34 #include <chemistry/qc/scf/fbclhf.h>
35 #include <chemistry/qc/scf/hsoshf.h>
36 #include <chemistry/qc/scf/osshf.h>
37 #include <chemistry/qc/scf/tchf.h>
38 #include <chemistry/qc/scf/uhf.h>
39 #include <chemistry/qc/scf/scf.h>
40 #ifdef MPQC_NEW_FEATURES
41 # include <chemistry/qc/scf/cadf/cadfclhf.h>
42 # include <chemistry/qc/scf/cadf/approx_pairs.h>
43 # include <chemistry/qc/scf/iter_logger.h>
44 #endif // MPQC_NEW_FEATURES
45 
46 #include <math/scmat/linkage.h>
47 #include <chemistry/molecule/linkage.h>
48 #include <chemistry/qc/wfn/linkage.h>
49 
50 #ifdef HAVE_LIBINT2
51 # include <chemistry/qc/libint2/linkage.h>
52 #endif
53 
54 #if MPQC_NEW_FEATURES && MPQC_HAS_ELEMENTAL
55 # include<chemistry/qc/scf/taclhf.hpp>
56 #endif
57 
58 namespace sc {
59 
60 ForceLink<CLHF> scf_force_link_a_;
61 ForceLink<HSOSHF> scf_force_link_b_;
62 ForceLink<OSSHF> scf_force_link_c_;
63 ForceLink<TCHF> scf_force_link_d_;
64 ForceLink<UHF> scf_force_link_e_;
65 ForceLink<FockBuildCLHF> scf_force_link_f_;
66 
67 #ifdef MPQC_NEW_FEATURES
68 ForceLink<ApproximatePairWriter> scf_force_link_g_;
69 ForceLink<SCFIterationLogger> scf_force_link_h_;
70 ForceLink<CADFCLHF> scf_force_link_i_;
71 #endif
72 
73 #if MPQC_NEW_FEATURES && MPQC_HAS_ELEMENTAL
74  ForceLink<mpqc::TA::CLHF> scf_force_link_g_;
75 #endif
76 
77 } // namespace sc
78 
79 #endif
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14

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