/*
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.
*/
/*
* Gabor Csanyi 8/1/2001
*
* the ComplexArray class holds a simple array of complex numbers
*
*/
#ifndef DFT_COMPLEX_ARRAY_H
#define DFT_COMPLEX_ARRAY_H
class ComplexArray
{
public:
int ndata; // number of data elements;
const static int datasize = sizeof(complex);
complex *d; // data array
ComplexArray(int ndata);
ComplexArray();
void init(int);
void free();
// get and release scratch space
void get_temp(int);
void release_temp();
void operator=(const ComplexArray &cd);
inline void operator=(complex c);
ComplexArray operator+(const ComplexArray &cd);
void operator+=(const ComplexArray &cd);
ComplexArray operator-(const ComplexArray &cd);
void operator-=(const ComplexArray &cd);
ComplexArray operator*(const real r);
ComplexArray operator*(const complex c);
void operator*=(const real r);
void operator*=(const complex c);
void operator*=(const ComplexArray &in);
void zero_out(void);
void negate(void);
void randomize(void);//uniform distribution
void write(char *fname);
void write(FILE *fp);
void writea(char *fname);
void read(char *fname);
void print();
};
ComplexArray operator*(real r,const ComplexArray &cd);
ComplexArray operator*(complex c,const ComplexArray &cd);
real abs2(const ComplexArray &cd);
void
add_scale_abs2(const complex &c, const ComplexArray & in,
ComplexArray &out);
complex dot(const ComplexArray &cd1,const ComplexArray &cd2);
void scale_accumulate(real r,const ComplexArray &cd1, ComplexArray &cd2);
void scale_accumulate(complex c,const ComplexArray &cd1, ComplexArray &cd2);
void scaled_sum(real r1, const ComplexArray &cd1,
real r2, const ComplexArray &cd2,
ComplexArray &cd3);
/*void scaled_sum(real r1,ComplexArray &cd1,
real r2, ComplexArray &cd2,
ComplexArray &cd3);
*/
void point_mult(ComplexArray &a1, ComplexArray &in2, ComplexArray &out);
#endif // DFT_COMPLEX_ARRAY_H
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