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util.h00001 // 00002 // util.h 00003 // 00004 // Copyright (C) 1997 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 #ifndef _chemistry_qc_mbpt_util_h 00029 #define _chemistry_qc_mbpt_util_h 00030 00031 #ifdef __GNUC__ 00032 #pragma interface 00033 #endif 00034 00035 #include <util/group/message.h> 00036 00037 namespace sc { 00038 00039 class BiggestContribs { 00040 private: 00041 int nindex_; 00042 int **indices_; 00043 double *vals_; 00044 int ncontrib_; 00045 int maxcontrib_; 00046 public: 00047 BiggestContribs(int nindex, int maxcontrib); 00048 ~BiggestContribs(); 00049 double val(int i) { return vals_[i]; } 00050 int ncontrib() { return ncontrib_; } 00051 const int *indices(int i) { return indices_[i]; } 00052 void insert(double val, const int *); 00053 void insert(double val, int i0, int i1); 00054 void insert(double val, int i0, int i1, int i2, int i3); 00055 void insert(double val, int i0, int i1, int i2, int i3, int i4); 00056 void combine(const Ref<MessageGrp> &grp); 00057 }; 00058 00059 } 00060 00061 #endif 00062 00063 // Local Variables: 00064 // mode: c++ 00065 // c-file-style: "CLJ" 00066 // End: Generated at Fri Jan 10 08:14:10 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14. |