Dear all,
The mu applied in fix gcmc means the total chemical potential. Am I right?
Thanks.
Dear all,
The mu applied in fix gcmc means the total chemical potential. Am I right?
from the first sentence of the "Description" section in the fix gcmc
documentation:
This fix performs grand canonical Monte Carlo (GCMC) exchanges of
atoms or molecules of the given type with an imaginary ideal gas
reservoir at the specified T and chemical potential (mu) as discussed
in (Frenkel).
so mu applies to the reservoir. "(Frenkel)" refers to a text book
listed at the bottom of the documentation page, so it is probably a
good idea to have a look at that one, too.
axel.