MADNESS  version 0.9
util.h
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1 /*
2  This file is part of MADNESS.
3 
4  Copyright (C) 2007,2010 Oak Ridge National Laboratory
5 
6  This program is free software; you can redistribute it and/or modify
7  it under the terms of the GNU General Public License as published by
8  the Free Software Foundation; either version 2 of the License, or
9  (at your option) any later version.
10 
11  This program is distributed in the hope that it will be useful,
12  but WITHOUT ANY WARRANTY; without even the implied warranty of
13  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14  GNU General Public License for more details.
15 
16  You should have received a copy of the GNU General Public License
17  along with this program; if not, write to the Free Software
18  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
19 
20  For more information please contact:
21 
22  Robert J. Harrison
23  Oak Ridge National Laboratory
24  One Bethel Valley Road
25  P.O. Box 2008, MS-6367
26 
27  email: harrisonrj@ornl.gov
28  tel: 865-241-3937
29  fax: 865-572-0680
30 
31  $Id$
32 */
33 #ifndef UTIL_H_
34 #define UTIL_H_
35 
36 #include <madness/mra/mra.h>
37 #include <madness/world/world.h>
38 
39 namespace madness {
40 // void printfunc(const World& world, Function<double,3> f, int npts)
41 // {
42 // Tensor<double> LL = FunctionDefaults<3>::get_cell_width();
43 // double L = LL[0];
44 // double bstep = L / npts;
45 // f.reconstruct();
46 // for (int i = 0; i <= npts; i++)
47 // {
48 // Vector<double,3> p(-L/2 + i * bstep);
49 // if (world.rank() == 0) printf("%.2f\t\t%.8f\n", p[0], f(p));
50 // }
51 // if (world.rank() == 0) printf("\n");
52 // }
53 
54 // void printfunc(const World& world, Function<double,3> f1, Function<double,3> f2, int npts)
55 // {
56 // Tensor<double> LL = FunctionDefaults<3>::get_cell_width();
57 // double L = LL[0];
58 // double bstep = L / npts;
59 // f1.reconstruct();
60 // f2.reconstruct();
61 // for (int i = 0; i <= npts; i++)
62 // {
63 // Vector<double,3> p(-L/2 + i * bstep);
64 // if (world.rank() == 0) printf("%.2f\t\t%.8f\t%.8f\n", p[0], f1(p), f2(p));
65 // }
66 // if (world.rank() == 0) printf("\n");
67 // }
68 }
69 //
70 //#include <madness/mra/mra.h>
71 //#include <madness/world/world.h>
72 //#include <vector>
73 //
74 //namespace madness
75 //{
76 // class OnesFunctor :
77 // public FunctionFunctorInterface<double,3>
78 // {
79 // private:
80 //
81 // public:
82 // //*************************************************************************
83 // OnesFunctor()
84 // {
85 // }
86 // //*************************************************************************
87 //
88 // //*************************************************************************
89 // virtual ~OnesFunctor() {}
90 // //*************************************************************************
91 //
92 // //*************************************************************************
93 // double operator()(const coordT& x) const
94 // {
95 // return 1.0;
96 // }
97 // //*************************************************************************
98 // };
99 //
100 // //***************************************************************************
101 // class ZerosFunctor :
102 // public FunctionFunctorInterface<double,3>
103 // {
104 // private:
105 //
106 // public:
107 // //*************************************************************************
108 // ZerosFunctor()
109 // {
110 // }
111 // //*************************************************************************
112 //
113 // //*************************************************************************
114 // virtual ~ZerosFunctor() {}
115 // //*************************************************************************
116 //
117 // //*************************************************************************
118 // double operator()(const coordT& x) const
119 // {
120 // return 0.0;
121 // }
122 // //*************************************************************************
123 // };
124 // //***************************************************************************
125 //}
126 
127 #endif
Main include file for MADNESS and defines Function interface.
This header should include pretty much everything needed for the parallel runtime.
Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces.
Definition: chem/atomutil.cc:45