MADNESS  version 0.9
qmprop.h
Go to the documentation of this file.
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 MADNESS_MRA_QMPROP_H__INCLUDED
34 #define MADNESS_MRA_QMPROP_H__INCLUDED
35 
38 
39 namespace madness {
40  Convolution1D<double_complex>*
41  qm_1d_free_particle_propagator(int k, double bandlimit, double timestep, double width);
42 
43  template <std::size_t NDIM>
44  SeparatedConvolution<double_complex,NDIM>
45  qm_free_particle_propagator(World& world, int k, double bandlimit, double timestep);
46 
47  template <std::size_t NDIM>
48  SeparatedConvolution<double_complex,NDIM>*
49  qm_free_particle_propagatorPtr(World& world, int k, double bandlimit, double timestep);
50 
52 
53 }
54 
55 
56 #endif
SeparatedConvolution< double_complex, NDIM > * qm_free_particle_propagatorPtr(World &world, int k, double bandlimit, double timestep)
Definition: qmprop.cc:180
void bandlimited_propagator_plot()
Definition: qmprop.cc:161
Convolution1D< double_complex > * qm_1d_free_particle_propagator(int k, double bandlimit, double timestep, double width)
Definition: qmprop.cc:165
SeparatedConvolution< double_complex, NDIM > qm_free_particle_propagator(World &world, int k, double bandlimit, double timestep)
Definition: qmprop.cc:171
Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces.
Definition: chem/atomutil.cc:45