4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-2001
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
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 * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .
34 * Good ROcking Metal Altar for Chronical Sinners
40 static char *SRCID_nrjac_h = "$Id$";
45 extern void jacobi(double **a,int n,double d[],double **v,int *nrot);
47 * real **omega = input matrix a[0..n-1][0..n-1] must be symmetric
48 * int natoms = number of rows and columns
49 * real NULL = d[0]..d[n-1] are the eigenvalues of a[][]
50 * real **v = v[0..n-1][0..n-1] contains the vectors in columns
51 * int *irot = number of jacobi rotations