Fixed-concentration boundary condition

[nahid safari]

Dear all,

I am investigating a system with fixed-concentration boundary condition. I need to analyze it. I am wondering if Freud package can support such a boundary condition?

If yes, I would appreciate if you tell me how I should setup the code for this boundary condition?

If no, is there any alternative python package viable for analyzing fixed-concentration boundary condition results?

Best regards,

Nahid

[Tommy Waltmann]

Hi Nahid,

Any fixed concentration boundary condition should be enforced by the simulation engine which generates the system trajectory. A library like freud can analyze the results of such simulations, but analysis libraries are not responsible for putting constraints on the system under study.

If you can provide some more information about the system, maybe I can give a more detailed answer.

Best,

Tommy