# cartit.h

    00001 //
    00002 // cartit.h
    00003 //
    00004 // Copyright (C) 2001 Edward Valeev
    00005 //
    00006 // Author: Edward Valeev <edward.valeev@chemistry.gatech.edu>
    00007 // Maintainer: EV
    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_cints_cartit_h
    00029 #define _chemistry_qc_cints_cartit_h
    00030
    00031 #include <chemistry/qc/basis/cartiter.h>
    00032
    00033 namespace sc {
    00034
    00035 class CartesianIterCints : public CartesianIter {
    00036   int *avec, *bvec, *cvec;
    00037
    00038   public:
    00039     CartesianIterCints(int l) : CartesianIter(l) {}
    00040
    00041     void start() {
    00042       bfn_=b_=c_=0;
    00043       a_=l_;
    00044     }
    00045
    00046     void next() {
    00047       if (c_ < l_ - a_) {
    00048         b_--;
    00049         c_++;
    00050       }
    00051       else {
    00052         a_--;
    00053         c_ = 0;
    00054         b_ = l_ - a_;
    00055       }
    00056       bfn_++;
    00057     }
    00058
    00059     operator int() {
    00060       return (a_ >= 0);
    00061     }
    00062 };
    00063
    00064 class RedundantCartesianIterCints : public RedundantCartesianIter {
    00065   public:
    00066     RedundantCartesianIterCints(int l) : RedundantCartesianIter(l) {}
    00067
    00068     int bfn() {
    00069       int i = a();
    00070       int am = l();
    00071       if (am == i)
    00072         return 0;
    00073       else {
    00074         int j = b();
    00075         int c = am - i;
    00076         return ((((c+1)*c)>>1)+c-j);
    00077       }
    00078     }
    00079 };
    00080
    00081 class RedundantCartesianSubIterCints : public RedundantCartesianSubIter {
    00082   public:
    00083     RedundantCartesianSubIterCints(int l) : RedundantCartesianSubIter(l) {}
    00084
    00085     int bfn() {
    00086       int i = a();
    00087       int am = l();
    00088       if (am == i)
    00089         return 0;
    00090       else {
    00091         int j = b();
    00092         int c = am - i;
    00093         return ((((c+1)*c)>>1)+c-j);
    00094       }
    00095     }
    00096 };
    00097
    00098 }
    00099
    00100 #endif
    00101
    00102 // Local Variables:
    00103 // mode: c++
    00104 // c-file-style: "CLJ"
    00105 // End: