Ejemplo n.º 1
0
void maxwell_speed(real tempi, unsigned int seed, gmx_mtop_t *mtop, rvec v[])
{
    gmx_rng_t rng;

    if (seed == 0)
    {
        seed = gmx_rng_make_seed();
        fprintf(stderr, "Using random seed %u for generating velocities\n", seed);
    }

    rng = gmx_rng_init(seed);

    low_mspeed(tempi, mtop, v, rng);

    gmx_rng_destroy(rng);
}
Ejemplo n.º 2
0
void maxwell_speed(real tempi,int seed,gmx_mtop_t *mtop, rvec v[])
{
  atom_id *dummy;
  int     i;
  gmx_rng_t rng;
  
  if (seed == -1) {
    seed = make_seed();
    fprintf(stderr,"Using random seed %d for generating velocities\n",seed);
  }
  
  rng = gmx_rng_init(seed);

  low_mspeed(tempi,mtop,v,rng);

  gmx_rng_destroy(rng);
}