cints/cartit.h
//
// cartit.h
//
// Copyright (C) 2001 Edward Valeev
//
// Author: Edward Valeev <edward.valeev@chemistry.gatech.edu>
// Maintainer: EV
//
// This file is part of the SC Toolkit.
//
// The SC Toolkit is free software; you can redistribute it and/or modify
// it under the terms of the GNU Library General Public License as published by
// the Free Software Foundation; either version 2, or (at your option)
// any later version.
//
// The SC Toolkit is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU Library General Public License for more details.
//
// You should have received a copy of the GNU Library General Public License
// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
//
// The U.S. Government is granted a limited license as per AL 91-7.
//
#ifndef _chemistry_qc_cints_cartit_h
#define _chemistry_qc_cints_cartit_h
#include <chemistry/qc/basis/cartiter.h>
namespace sc {
class CartesianIterCints : public CartesianIter {
int *avec, *bvec, *cvec;
public:
CartesianIterCints(int l) : CartesianIter(l) {}
void start() {
bfn_=b_=c_=0;
a_=l_;
}
void next() {
if (c_ < l_ - a_) {
b_--;
c_++;
}
else {
a_--;
c_ = 0;
b_ = l_ - a_;
}
bfn_++;
}
operator int() {
return (a_ >= 0);
}
};
class RedundantCartesianIterCints : public RedundantCartesianIter {
public:
RedundantCartesianIterCints(int l) : RedundantCartesianIter(l) {}
int bfn() {
int i = a();
int am = l();
if (am == i)
return 0;
else {
int j = b();
int c = am - i;
return ((((c+1)*c)>>1)+c-j);
}
}
};
class RedundantCartesianSubIterCints : public RedundantCartesianSubIter {
public:
RedundantCartesianSubIterCints(int l) : RedundantCartesianSubIter(l) {}
int bfn() {
int i = a();
int am = l();
if (am == i)
return 0;
else {
int j = b();
int c = am - i;
return ((((c+1)*c)>>1)+c-j);
}
}
};
}
#endif
// Local Variables:
// mode: c++
// c-file-style: "CLJ"
// End: