The desoprtion rate

The desorption rate is readily calculated from the information in queue.

From the enumeration of the slow events in queue, we can calculate an estimate for the desorption rate averaged over the minor step by summing the rate for the appropriate events:

 
	r = 0.;
	for (is = 0; is < size * size; is++)
		if (site[is].id > 0)
			for (i = 0; i < NBRNUM / 2; i++)
				if (site[is].nbr[i]->id == 1)
					r += desRate[site[i].env + site[is].env];

The desorption rate for the major step is calculated by averaging the desorption rate for each of the minor steps weighted with the timestep for the minor step.


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Author Per Stoltze stoltze@fysik.dtu.dk