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util.h
Go to the documentation of this file.
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/*
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This file is part of MADNESS.
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Copyright (C) 2007,2010 Oak Ridge National Laboratory
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation; either version 2 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program; if not, write to the Free Software
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Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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For more information please contact:
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Robert J. Harrison
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Oak Ridge National Laboratory
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One Bethel Valley Road
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P.O. Box 2008, MS-6367
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email: harrisonrj@ornl.gov
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tel: 865-241-3937
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fax: 865-572-0680
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$Id$
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*/
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#ifndef UTIL_H_
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#define UTIL_H_
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#include <
madness/mra/mra.h
>
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#include <
madness/world/world.h
>
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namespace
madness
{
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// void printfunc(const World& world, Function<double,3> f, int npts)
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// {
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// Tensor<double> LL = FunctionDefaults<3>::get_cell_width();
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// double L = LL[0];
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// double bstep = L / npts;
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// f.reconstruct();
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// for (int i = 0; i <= npts; i++)
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// {
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// Vector<double,3> p(-L/2 + i * bstep);
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// if (world.rank() == 0) printf("%.2f\t\t%.8f\n", p[0], f(p));
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// }
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// if (world.rank() == 0) printf("\n");
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// }
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// void printfunc(const World& world, Function<double,3> f1, Function<double,3> f2, int npts)
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// {
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// Tensor<double> LL = FunctionDefaults<3>::get_cell_width();
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// double L = LL[0];
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// double bstep = L / npts;
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// f1.reconstruct();
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// f2.reconstruct();
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// for (int i = 0; i <= npts; i++)
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// {
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// Vector<double,3> p(-L/2 + i * bstep);
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// if (world.rank() == 0) printf("%.2f\t\t%.8f\t%.8f\n", p[0], f1(p), f2(p));
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// }
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// if (world.rank() == 0) printf("\n");
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// }
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}
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//
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//#include <madness/mra/mra.h>
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//#include <madness/world/world.h>
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//#include <vector>
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//
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//namespace madness
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//{
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// class OnesFunctor :
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// public FunctionFunctorInterface<double,3>
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// {
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// private:
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//
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// public:
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// //*************************************************************************
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// OnesFunctor()
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// {
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// }
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// //*************************************************************************
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//
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// //*************************************************************************
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// virtual ~OnesFunctor() {}
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// //*************************************************************************
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//
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// //*************************************************************************
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// double operator()(const coordT& x) const
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// {
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// return 1.0;
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// }
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// //*************************************************************************
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// };
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//
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// //***************************************************************************
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// class ZerosFunctor :
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// public FunctionFunctorInterface<double,3>
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// {
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// private:
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//
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// public:
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// //*************************************************************************
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// ZerosFunctor()
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// {
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// }
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// //*************************************************************************
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//
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// //*************************************************************************
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// virtual ~ZerosFunctor() {}
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// //*************************************************************************
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//
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// //*************************************************************************
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// double operator()(const coordT& x) const
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// {
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// return 0.0;
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// }
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// //*************************************************************************
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// };
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// //***************************************************************************
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//}
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#endif
mra.h
Main include file for MADNESS and defines Function interface.
world.h
This header should include pretty much everything needed for the parallel runtime.
madness
Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces.
Definition:
chem/atomutil.cc:45
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