/*
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, Dec. 1996
*
* A simple complex number class for C++. I tried to make it as efficient
* as possible.
*
*/
/* $Id: complex.h,v 1.7.2.5 2003/05/29 18:54:15 ivan Exp $ */
#ifndef DFT_COMPLEX_H
#define DFT_COMPLEX_H
#include <stdio.h>
#include <math.h>
class complex {
// data
public:
real x,y;
complex(real r = 0, real i = 0): x(r), y(i) {}
complex& operator += (const complex&);
complex& operator -= (const complex&);
complex& operator *= (const complex&);
// operators
inline void operator=(const real x1) { x = x1; y = (real)0.0; }
inline void operator*=(const real s) // z *= r
{
x *= s;
y *= s;
}
// functions
inline real phase() const { return atan2(y,x); }
};
// Returns the complex conjugate of z
inline complex conj(const complex& z)
{
return complex( z.x, -z.y );
}
inline complex& complex::operator += (const complex& r)
{
x+=r.x;
y+=r.y;
return *this;
}
inline complex& complex::operator -= (const complex& r)
{
x-=r.x;
y-=r.y;
return *this;
}
inline complex& complex::operator *= (const complex& r)
{
real f = x*r.x - y*r.y;
y = x*r.y + y*r.x;
x = f;
return *this;
}
inline complex operator + (const complex& z)
{
return z;
}
inline complex operator - (const complex& z)
{
return complex(-z.x, -z.y);
}
inline complex operator + (const complex& z1, const complex& z2)
{
return complex(z1.x+z2.x, z1.y + z2.y);
}
inline complex operator - (const complex& z1, const complex& z2)
{
return complex(z1.x-z2.x, z1.y - z2.y);
}
inline complex operator * (const complex& z1, const complex& z2)
{
return complex(z1.x * z2.x - z1.y * z2.y, z1.x * z2.y + z1.y * z2.x);
}
inline complex operator / (const complex& z1, const complex& z2)
{
real s=(real)1.0/(z2.x*z2.x+z2.y*z2.y);
return complex( s*(z1.x*z2.x+z1.y*z2.y), s*(z1.y*z2.x-z1.x*z2.y) );
}
inline complex operator * (const complex& z, real r)
{
return complex(z.x * r, z.y * r);
}
inline complex operator * (real r, const complex& z)
{
return complex(r * z.x, r * z.y);
}
inline complex operator / (const complex& z, real r)
{
return complex(z.x / r, z.y / r);
}
// friend operator/ overload to handle real/complex case
inline complex operator/(const real s,const complex &z1)
{
real soverz2 = s/(z1.x*z1.x+z1.y*z1.y);
return complex(soverz2*z1.x, -soverz2*z1.y);
}
// Returns square magnitude of z
inline real abs2(const complex &z)
{
return z.x*z.x + z.y*z.y;
}
// Returns length of z
inline real abs(const complex &z)
{
return sqrt(z.x*z.x+z.y*z.y);
}
// Returns phase of z from -pi to pi
inline real phase(const complex &z)
{
return atan2(z.y,z.x);
}
// Exponentiates z
inline complex exp(const complex &z)
{
real s = exp(z.x);
return complex( s*cos(z.y), s*sin(z.y) );
}
// Returns the natural log of z with phase from -pi to pi
inline complex ln(const complex &z)
{
return complex( 0.5*log(abs2(z)), z.phase() );
}
// Returns sqrt of z with phase of z taken from -pi to pi
inline complex sqrt(const complex &z)
{
real r = sqrt(abs(z));
real theta = 0.5*z.phase();
return complex( r*cos(theta), r*sin(theta) );
}
inline real REAL(const complex &z) {return z.x;}
inline real IMAG(const complex &z) {return z.y;}
#endif // DFT_COMPLEX_H
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