/*
DFT++ is a density functional package developed by the research group
of Professor Tomas Arias
Copyright 1996-2003 Sohrab Ismail-Beigi
This file is part of DFT++.
DFT++ is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
DFT++ 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 General Public License for more details.
You should have received a copy of the GNU General Public License
along with DFT++; if not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
Please see the file CREDITS for a list of authors.
For academic users, we request that publications using results obtained with
this software reference
"New algebraic formulation of density functional calculation," by Sohrab Ismail-Beigi
and T.A. Arias, Computer Physics Communications 128:1-2, 1-45 (June 2000).
and, if using the wavelet basis, further reference
"Multiresolution analysis of electronic structure: semicardinal and wavelet bases,"
T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999).
and
"Robust ab initio calculation of condensed matter: transparent convergence through
semicardinal multiresolution analysis,'' I.P. Daykov, T.A. Arias, and
Torkel D. Engeness, Physical Review Letters, 90:21, 216402 (May 2003).
For your convenience, preprints of the above articles may be obtained from
http://arXiv.org/abs/cond-mat/9909130, 9805262, and 0204411, respectively.
*/
/*
* Sohrab Ismail-Beigi Mar. 30, 1997
*
* Solve the Poisson equation.
*
*/
/* $Id: poisson.cpp,v 1.5.2.9 2003/05/29 18:54:32 ivan Exp $ */
#include "header.h"
/*
* Solve poisson equation...trivial for a planewave basis!
*
* d = -4*pi*invL(Obar(J(n))).
*/
void solve_poisson(RealSpaceScalarFieldColumn &density,
CoeffSpaceScalarFieldColumn &potential)
{
#ifdef DFT_PROFILING
timerOn(17); // Turn on solve_poisson timer
#endif // DFT_PROFILING
const real pi = M_PI;
// potential = (-4.0*pi)*invL(Obar(J(density)));
// the code below saves on temporaries
apply_J(density, potential);
apply_Obar(potential, potential);
apply_invL(potential, potential);
potential*=(-4*pi);
#ifdef DFT_PROFILING
timerOff(17); // Turn off solve_poisson timer
#endif // DFT_PROFILING
}
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