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/*
* $Id: gmxcomplex.h,v 1.5 2009/03/07 13:30:36 lindahl Exp $
*
* This source code is part of
*
* G R O M A C S
*
* GROningen MAchine for Chemical Simulations
*
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* This program 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.
*
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
*
* For more info, check our website at http://www.gromacs.org
*
* And Hey:
* Gromacs Runs On Most of All Computer Systems
*/
#ifndef _gmxcomplex_h
#define _gmxcomplex_h
#include <math.h>
#include "typedefs.h"
typedef struct {
real re,im;
} t_complex;
typedef t_complex cvec[DIM];
static t_complex cnul = { 0.0, 0.0 };
static t_complex rcmul(real r,t_complex c)
{
t_complex d;
d.re = r*c.re;
d.im = r*c.im;
return d;
}
static t_complex rcexp(real r)
{
t_complex c;
c.re = (real)cos(r);
c.im = (real)sin(r);
return c;
}
static t_complex cadd(t_complex a,t_complex b)
{
t_complex c;
c.re = a.re+b.re;
c.im = a.im+b.im;
return c;
}
static t_complex csub(t_complex a,t_complex b)
{
t_complex c;
c.re = a.re-b.re;
c.im = a.im-b.im;
return c;
}
static t_complex cmul(t_complex a,t_complex b)
{
t_complex c;
c.re = a.re*b.re - a.im*b.im;
c.im = a.re*b.im + a.im*b.re;
return c;
}
static t_complex conjugate(t_complex c)
{
t_complex d;
d.re = c.re;
d.im = -c.im;
return d;
}
static real cabs2(t_complex c)
{
real abs2;
abs2=(c.re*c.re)+(c.im*c.im);
return abs2;
}
static t_complex cdiv(t_complex teller,t_complex noemer)
{
t_complex res,anoemer;
anoemer = cmul(conjugate(noemer),noemer);
res = cmul(teller,conjugate(noemer));
return rcmul(1.0/anoemer.re,res);
}
#endif
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