Ensemble concept

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1

Hi Dear LAMMPS users and reaserchers,

In connection with ensemble concept, when we define periodic boundary condition “p p p” for our super cell in LAMMPS, does it mean that we define large number of systems that they are same in macrostate and different in microstate?
Best
S.M.Zamzamian

2

Hi,

no, periodic images are exact copies of the simulation cell.

Oleg

19.10.2017, 13:29, “mehrdad zamzamian” <mehrdad.zamzamian@…24…>:

3

Thanks for answering
Then, what is the usefulness in this sort of definition (periodic)?
Best
S.M.Zamzamian

4

Thanks for answering
Then, what is the usefulness in this sort of definition (periodic)?

please consult a text book on MD. it will explain why periodic
boundaries are used.
your original question was already borderline off-topic for this
mailing list. this one definitely is off-topic.

axel.