MPQC 3.0.0-alpha
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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
58namespace sc {
59
60ForceLink<CLHF> scf_force_link_a_;
61ForceLink<HSOSHF> scf_force_link_b_;
62ForceLink<OSSHF> scf_force_link_c_;
63ForceLink<TCHF> scf_force_link_d_;
64ForceLink<UHF> scf_force_link_e_;
65ForceLink<FockBuildCLHF> scf_force_link_f_;
66
67#ifdef MPQC_NEW_FEATURES
68ForceLink<ApproximatePairWriter> scf_force_link_g_;
69ForceLink<SCFIterationLogger> scf_force_link_h_;
70ForceLink<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
Contains all MPQC code up to version 3.
Definition mpqcin.h:14

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