/*
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.
*/
/*---------------------- diaginnerouter.c -----------------------------*
* Inner and outer diagonals of certain matrix products *
*-----------------------------------------------------------------------*/
#ifndef DFT_DIAGINNEROUTER_H
#define DFT_DIAGINNEROUTER_H
/* returns diag(F*X^Y) where F is treated as a diagonal matrix */
diag_matrix diaginner(const diag_matrix &F,
ColumnBundle &X,const ColumnBundle &Y);
/* returns diag((I*X)*F*(I*X)^) */
RealSpaceScalarFieldColumn diagouterI(const diag_matrix &F,const ColumnBundle &X);
RealSpaceScalarFieldColumn diagouterI_one_column(const diag_matrix &F,const ColumnBundle &X,
int col);
#endif // DFT_DIAGINNEROUTER_H
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