fjt.h Source File

00001 //
00002 // fjt.h
00003 //
00004 // Copyright (C) 1996 Limit Point Systems, Inc.
00005 //
00006 // Author: Curtis Janssen <cljanss@limitpt.com>
00007 // Maintainer: LPS
00008 //
00009 // This file is part of the SC Toolkit.
00010 //
00011 // The SC Toolkit is free software; you can redistribute it and/or modify
00012 // it under the terms of the GNU Library General Public License as published by
00013 // the Free Software Foundation; either version 2, or (at your option)
00014 // any later version.
00015 //
00016 // The SC Toolkit is distributed in the hope that it will be useful,
00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of
00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00019 // GNU Library General Public License for more details.
00020 //
00021 // You should have received a copy of the GNU Library General Public License
00022 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
00024 //
00025 // The U.S. Government is granted a limited license as per AL 91-7.
00026 //
00027 
00028 #ifdef __GNUG__
00029 #pragma interface
00030 #endif
00031 
00032 #ifndef _chemistry_qc_intv3_fjt_h
00033 #define _chemistry_qc_intv3_fjt_h
00034 
00035 #include <util/ref/ref.h>
00036 
00037 namespace sc {
00038 
00039 class FJT: public RefCount {
00040   private:
00041     double **gtable;
00042 
00043     int maxj;
00044     double *denomarray;
00045     double wval_infinity;
00046     int itable_infinity;
00047 
00048     double *int_fjttable;
00049 
00050     int ngtable() const { return maxj + 7; }
00051   public:
00052     FJT(int n);
00053     ~FJT();
00054     // Returns J-1 doubles.  The use may read/write these values.
00055     // They will be overwritten with the next call to values.
00056     // They will be deleted during the call to ~FJT.
00057     double *values(int J, double T);
00058 };
00059 
00060 }
00061 
00062 #endif
00063 
00064 // Local Variables:
00065 // mode: c++
00066 // c-file-style: "CLJ"
00067 // End: