MPQC
3.0.0-alpha
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
35
namespace
sc
{
36
38
class
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
sc::PTNum
PTNum is the base class for the numerator in various (T) models.
Definition:
ptnum.h:38
sc::PTNum::i1xn
std::vector< Tensor * > i1xn
intermediate tensors
Definition:
ptnum.h:46
sc::PTNum::in
std::vector< Tensor * > in
input tensors
Definition:
ptnum.h:44
sc::RefCount
The base class for all reference counted objects.
Definition:
ref.h:192
sc
Contains all MPQC code up to version 3.
Definition:
mpqcin.h:14
sc::CCR12_Info
CCR12_Info is the compilation of members that are used in CC and CC-R12 methods.
Definition:
ccr12_info.h:50
Generated at Sun Jan 26 2020 23:23:57 for
MPQC
3.0.0-alpha using the documentation package
Doxygen
1.8.16.