fix deposit, ensemble

Dear Lammps Users
fix deposit command is used for deposition on a surface, and so number of atoms (N) in box is not constant during simulation. which ensemble should we use? in lammps example directory (deposit) there is one example used NVE while we know N is not constant. how should we interpret this?

Best Regard.

Dear Lammps Users
fix deposit command is used for deposition on a surface, and so number of
atoms (N) in box is not constant during simulation. which ensemble should
we use?

​this question has been asked and answered many times before. ​please have
the courtesy of searching through the mailing list archives before asking
questions, so that we can focus on answering *new* questions.

anyway, here we go.
​you *cannot* "choose" an ensemble. the ensemble will be the result of your
choices how you run your simulation.​

​if you do a simulation with fix deposit like in the given example, you
have an open system with no defined ensemble at all. full stop.​

in lammps example directory (deposit) there is one example used NVE while
we know N is not constant. how should we interpret this?

​fix nve/nvt/npt/nph are are *integrators*. the integrate the equations of
motion according to the defined rules and *without* respect to a specific
ensemble. however, if you take a bulk system, e.g., like in the melt
example and run with any of those integrators *and* do not manipulate the
system in any other way​, you will have a simulation in the respective
ensemble.

​please have a closer look into a text book about statistical mechanics to
confirm my claims. thanks.

axel.​