MPQC 2.3.1

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fjt.h

    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: