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 class FJT: public RefCount { 00038 private: 00039 double **gtable; 00040 00041 int maxj; 00042 double *denomarray; 00043 double wval_infinity; 00044 int itable_infinity; 00045 00046 double *int_fjttable; 00047 00048 int ngtable() const { return maxj + 7; } 00049 public: 00050 FJT(int n); 00051 ~FJT(); 00052 // Returns J-1 doubles. The use may read/write these values. 00053 // They will be overwritten with the next call to values. 00054 // They will be deleted during the call to ~FJT. 00055 double *values(int J, double T); 00056 }; 00057 00058 00059 #endif 00060 00061 // Local Variables: 00062 // mode: c++ 00063 // c-file-style: "CLJ" 00064 // End: