1 | //
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2 | // fjt.h
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3 | //
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4 | // Copyright (C) 1996 Limit Point Systems, Inc.
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5 | //
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6 | // Author: Curtis Janssen <cljanss@limitpt.com>
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7 | // Maintainer: LPS
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8 | //
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9 | // This file is part of the SC Toolkit.
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10 | //
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11 | // The SC Toolkit is free software; you can redistribute it and/or modify
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12 | // it under the terms of the GNU Library General Public License as published by
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13 | // the Free Software Foundation; either version 2, or (at your option)
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14 | // any later version.
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15 | //
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16 | // The SC Toolkit is distributed in the hope that it will be useful,
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17 | // but WITHOUT ANY WARRANTY; without even the implied warranty of
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18 | // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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19 | // GNU Library General Public License for more details.
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20 | //
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21 | // You should have received a copy of the GNU Library General Public License
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22 | // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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23 | // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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24 | //
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25 | // The U.S. Government is granted a limited license as per AL 91-7.
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26 | //
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27 |
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28 | #ifdef __GNUG__
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29 | #pragma interface
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30 | #endif
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31 |
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32 | #ifndef _chemistry_qc_intv3_fjt_h
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33 | #define _chemistry_qc_intv3_fjt_h
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34 |
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35 | #include <util/ref/ref.h>
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36 |
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37 | namespace sc {
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38 |
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39 | class FJT: public RefCount {
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40 | private:
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41 | double **gtable;
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42 |
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43 | int maxj;
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44 | double *denomarray;
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45 | double wval_infinity;
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46 | int itable_infinity;
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47 |
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48 | double *int_fjttable;
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49 |
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50 | int ngtable() const { return maxj + 7; }
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51 | public:
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52 | FJT(int n);
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53 | ~FJT();
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54 | // Returns J-1 doubles. The use may read/write these values.
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55 | // They will be overwritten with the next call to values.
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56 | // They will be deleted during the call to ~FJT.
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57 | double *values(int J, double T);
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58 | };
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59 |
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60 | }
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61 |
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62 | #endif
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63 |
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64 | // Local Variables:
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65 | // mode: c++
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66 | // c-file-style: "CLJ"
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67 | // End:
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