MPQC  3.0.0-alpha
util.h
1 //
2 // util.h
3 //
4 // Copyright (C) 1997 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.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_mbpt_util_h
29 #define _chemistry_qc_mbpt_util_h
30 
31 #include <util/group/message.h>
32 
33 namespace sc {
34 
36  private:
37  int nindex_;
38  int **indices_;
39  double *vals_;
40  int ncontrib_;
41  int maxcontrib_;
42  public:
43  BiggestContribs(int nindex, int maxcontrib);
44  ~BiggestContribs();
45  double val(int i) { return vals_[i]; }
46  int ncontrib() { return ncontrib_; }
47  const int *indices(int i) { return indices_[i]; }
48  void insert(double val, const int *);
49  void insert(double val, int i0, int i1);
50  void insert(double val, int i0, int i1, int i2, int i3);
51  void insert(double val, int i0, int i1, int i2, int i3, int i4);
52  void combine(const Ref<MessageGrp> &grp);
53 };
54 
55 }
56 
57 #endif
58 
59 // Local Variables:
60 // mode: c++
61 // c-file-style: "CLJ"
62 // End:
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
sc::BiggestContribs
Definition: util.h:35

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