MPQC 2.3.1
transform_12inds.h
1//
2// transform_12inds.h
3//
4// Copyright (C) 2004 Edward Valeev
5//
6// Author: Edward Valeev <edward.valeev@chemistry.gatech.edu>
7// Maintainer: EV
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_mbpt_transform12inds_h
29#define _chemistry_qc_mbpt_transform12inds_h
30
31#ifdef __GNUC__
32#pragma interface
33#endif
34
35#include <util/misc/regtime.h>
36#include <util/group/memory.h>
37#include <util/group/thread.h>
38#include <chemistry/qc/basis/integral.h>
39#include <chemistry/qc/mbptr12/transform_tbint.h>
40
41namespace sc {
42
43#define PRINT_BIGGEST_INTS 0
44
46
48 Ref<TwoBodyInt> tbint_;
49 Ref<ThreadLock> lock_;
50 Ref<RegionTimer> timer_;
51
52 int mythread_;
53 int nthread_;
54 int ni_; // Number of i-indices handled in each pass
55 int i_offset_; // first i-index handled in this pass
56
57 double tol_;
58 int debug_;
59
60 int aoint_computed_;
61
62 public:
64 int mythread, int nthread, const Ref<ThreadLock>& lock, const Ref<TwoBodyInt> &tbint,
65 double tol, int debug);
67
68 void set_i_offset(const int ioff) { i_offset_ = ioff; }
69 void set_ni(const int nivalue) { ni_ = nivalue; }
70
71 void run();
72};
73
74}
75
76#endif
77
78// //////////////////////////////////////////////////////////////////////////
79
80// Local Variables:
81// mode: c++
82// c-file-style: "CLJ-CONDENSED"
83// End:
A template class that maintains references counts.
Definition: ref.h:332
The Thread abstract class defines an interface which must be implemented by classes wishing to be run...
Definition: thread.h:79
Definition: transform_12inds.h:45
void run()
This is called with the Thread is run from a ThreadGrp.

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