MPQC 3.0.0-alpha
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parenthesis2q.h
1//
2// parenthesis2q.h --- base class for (2)Q corrections
3//
4// Copyright (C) 2009 Toru Shiozaki
5//
6// Author: Toru Shiozaki <shiozaki.toru@gmail.com>
7// Maintainer: TS
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_ccr12_parenthesis2q_h
29#define _chemistry_qc_ccr12_parenthesis2q_h
30
31#include <util/ref/ref.h>
32#include <chemistry/qc/ccr12/ccr12_info.h>
33#include <chemistry/qc/ccr12/parenthesis2tnum.h>
34
35namespace sc {
36
37class Parenthesis2q : public RefCount {
38
39 protected:
40 CCR12_Info* z;
41
42 public:
45
46 double compute_energy(Ref<Parenthesis2tNum>, Ref<Parenthesis2tNum>);
47
48};
49
50
51
52}
53
54#endif
55
56
CCR12_Info is the compilation of members that are used in CC and CC-R12 methods.
Definition ccr12_info.h:50
Definition parenthesis2q.h:37
The base class for all reference counted objects.
Definition ref.h:192
A template class that maintains references counts.
Definition ref.h:361
Contains all MPQC code up to version 3.
Definition mpqcin.h:14

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