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symmint.h
1 //
2 // symmint.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_integral_symmint_h
29 #define _chemistry_qc_integral_symmint_h
30
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34
35 #include <util/state/state.h>
36 #include <chemistry/qc/basis/obint.h>
37 #include <chemistry/qc/basis/tbint.h>
38 #include <chemistry/qc/basis/petite.h>
39
40 namespace sc {
41
42 // //////////////////////////////////////////////////////////////////////////
43
44 class SymmOneBodyIntIter : public OneBodyIntIter {
45 protected:
46 Ref<PetiteList> pl;
47
48 public:
49 SymmOneBodyIntIter(const Ref<OneBodyInt>&, const Ref<PetiteList>&);
50 ~SymmOneBodyIntIter();
51
52 void start(int ist=0, int jst=0, int ien=0, int jen=0);
53 void next();
54
55 double scale() const;
56
57 bool cloneable();
58 Ref<OneBodyIntIter> clone();
59 };
60
61 class SymmTwoBodyIntIter : public TwoBodyIntIter {
62 protected:
63 Ref<PetiteList> pl;
64
65 public:
66 SymmTwoBodyIntIter(const Ref<TwoBodyInt>&, const Ref<PetiteList>&);
67 ~SymmTwoBodyIntIter();
68
69 void start();
70 void next();
71
72 double scale() const;
73 };
74
75 }
76
77 #endif
78
79 // Local Variables:
80 // mode: c++
81 // c-file-style: "ETS"
82 // End: