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intv3/fjt.h
1 //
2 // fjt.h
3 //
4 // Copyright (C) 1996 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 #ifdef __GNUG__
29 #pragma interface
30 #endif
31
32 #ifndef _chemistry_qc_intv3_fjt_h
33 #define _chemistry_qc_intv3_fjt_h
34
35 #include <util/ref/ref.h>
36
37 namespace sc {
38
39 class FJT: public RefCount {
40 private:
41 double **gtable;
42
43 int maxj;
44 double *denomarray;
45 double wval_infinity;
46 int itable_infinity;
47
48 double *int_fjttable;
49
50 int ngtable() const { return maxj + 7; }
51 public:
52 FJT(int n);
53 ~FJT();
54 // Returns J-1 doubles. The use may read/write these values.
55 // They will be overwritten with the next call to values.
56 // They will be deleted during the call to ~FJT.
57 double *values(int J, double T);
58 };
59
60 }
61
62 #endif
63
64 // Local Variables:
65 // mode: c++
66 // c-file-style: "CLJ"
67 // End: