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/*
* $Id: random.h,v 1.15 2004/01/22 16:15:09 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 _random_h
#define _random_h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <typedefs.h>
extern int make_seed(void);
/* Make a random seed: (time+getpid) % 1000000 */
extern real rando(int *seed);
/* Generate a random number 0 <= r < 1. seed is the (address of) the
* random seed variable.
*/
extern void grp_maxwell(t_block *grp,real tempi[],int nrdf[],int seed,
t_atoms *atoms,rvec v[]);
/* Generate for each group in grp a temperature.
* When seed = -1, set the seed to make_seed.
*/
extern void maxwell_speed(real tempi,int nrdf,int seed,
t_atoms *atoms, rvec v[]);
/* Generate velocites according to a maxwellian distribution */
extern real calc_cm(FILE *log,int natoms,real mass[],rvec x[],rvec v[],
rvec xcm,rvec vcm,rvec acm,matrix L);
/* Calculate the c.o.m. position, velocity, acceleration and the
* moment of Inertia. Returns the total mass.
*/
extern void stop_cm(FILE *log,int natoms,real mass[],rvec x[],rvec v[]);
#endif /* _random_h */
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