2 * $Id: gmxcomplex.h,v 1.5 2009/03/07 13:30:36 lindahl Exp $
4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
12 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
13 * Copyright (c) 2001-2004, The GROMACS development team,
14 * check out http://www.gromacs.org for more information.
16 * This program is free software; you can redistribute it and/or
17 * modify it under the terms of the GNU General Public License
18 * as published by the Free Software Foundation; either version 2
19 * of the License, or (at your option) any later version.
21 * If you want to redistribute modifications, please consider that
22 * scientific software is very special. Version control is crucial -
23 * bugs must be traceable. We will be happy to consider code for
24 * inclusion in the official distribution, but derived work must not
25 * be called official GROMACS. Details are found in the README & COPYING
26 * files - if they are missing, get the official version at www.gromacs.org.
28 * To help us fund GROMACS development, we humbly ask that you cite
29 * the papers on the package - you can find them in the top README file.
31 * For more info, check our website at http://www.gromacs.org
34 * Gromacs Runs On Most of All Computer Systems
46 typedef t_complex cvec[DIM];
48 static t_complex cnul = { 0.0, 0.0 };
50 static t_complex rcmul(real r,t_complex c)
60 static t_complex rcexp(real r)
71 static t_complex cadd(t_complex a,t_complex b)
81 static t_complex csub(t_complex a,t_complex b)
91 static t_complex cmul(t_complex a,t_complex b)
95 c.re = a.re*b.re - a.im*b.im;
96 c.im = a.re*b.im + a.im*b.re;
101 static t_complex conjugate(t_complex c)
111 static real cabs2(t_complex c)
114 abs2=(c.re*c.re)+(c.im*c.im);
121 static t_complex cdiv(t_complex teller,t_complex noemer)
123 t_complex res,anoemer;
125 anoemer = cmul(conjugate(noemer),noemer);
126 res = cmul(teller,conjugate(noemer));
128 return rcmul(1.0/anoemer.re,res);