/*
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.
*/
/*------------------------ diag_matrix --------------------------------*
* *
* diag_matrix class: *
* a diagonal matrix of scalar elements (diag_matrix.c) *
* *
*-----------------------------------------------------------------------*/
#ifndef DFT_DIAG_MATRIX_H
#define DFT_DIAG_MATRIX_H
class diag_matrix
{
/* data */
public:
int n;
scalar *c;
/* Constructors and destructor */
diag_matrix();
diag_matrix(int len);
diag_matrix(const diag_matrix &d1);
~diag_matrix();
/* Operators */
void operator=(const diag_matrix &d1); /* Non-std: = returns void */
inline scalar operator()(int i) const {return c[i];}; //i'th element
/* Member functions: */
/* Does what the constructor does */
void init(int len);
/* free up memory */
void freemem(void) { free(c); } /* free the memory */
/* print the matrix to output */
void print(Output *out);
/* print the real part */
void print_real(Output *out);
/* Zero out the elements of the diag_matrix */
void zero_out(void);
//algebra
void operator*=(const complex &c);
friend diag_matrix operator*(const complex &, const diag_matrix &);
};
scalar trace(const diag_matrix &);
#endif // DFT_DIAG_MATRIX_H
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