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_ewald_h = "$Id$";
50 extern real calc_ewaldcoeff(real rc,real dtol);
51 /* Determines the Ewald parameter, both for Ewald and PME */
53 extern real do_ewald(FILE *log, bool bVerbose,
56 real charge[], rvec box,
57 t_commrec *cr, t_nsborder *nsb,
58 matrix lrvir, real ewaldcoeff);
59 /* Do an Ewald calculation for the long range electrostatics. */