MPQC 3.0.0-alpha
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ptnum.h
1//
2// ptnum.h --- base class for the numerators in various (T) correction i.e., with or without R12
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#pragma once
29#ifndef _chemistry_qc_ccr12_ptnum_h
30#define _chemistry_qc_ccr12_ptnum_h
31
32#include <util/ref/ref.h>
33#include <chemistry/qc/ccr12/ccr12_info.h>
34
35namespace sc {
36
38class PTNum : public RefCount {
39
40 protected:
41 CCR12_Info* z;
42
44 std::vector<Tensor*> in;
46 std::vector<Tensor*> i1xn;
47
48 public:
49 PTNum(CCR12_Info* info) : z(info) {};
50
51 ~PTNum() {};
52
53 virtual void compute_amp(double**,const long,const long,const long,const long,const long,const long,const long) {};
54
55};
56
57}
58
59#endif
60
61
CCR12_Info is the compilation of members that are used in CC and CC-R12 methods.
Definition ccr12_info.h:50
PTNum is the base class for the numerator in various (T) models.
Definition ptnum.h:38
std::vector< Tensor * > i1xn
intermediate tensors
Definition ptnum.h:46
std::vector< Tensor * > in
input tensors
Definition ptnum.h:44
The base class for all reference counted objects.
Definition ref.h:192
Contains all MPQC code up to version 3.
Definition mpqcin.h:14

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