TrialReptateUnopt
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class TrialReptateUnopt : public feasst::TrialFactoryNamed
Attempt to reptate a linear chain particle of a given type as follows. Randomly pick one of two ends of the chain. Starting from that end, move each site to the next, and regrow the position of the last. This reptation trial is general to most linear particles and does not use optimization which assumes that all beads on the chain are identical (See TrialReptate).
Forward event
\(\alpha_{o\rightarrow n}\)
Choose particle of type A
\(1/N_A\)
Choose end of linear particle
\(1/2\)
Move each site to the next and pick a new orientation for the last site.
\(P_{\omega n}\)
Reverse event
\(\alpha_{n\rightarrow o}\)
Choose particle of type A
\(1/N_A\)
Choose opposite end of linear particle
\(1/2\)
Move each site to the next and pick a new orientation for the site on the opposite end
\(P_{\omega o}\)
Because this trial only involves changing particle positions, the canonical ensemble microstate probability distribution is utilized in the application of local detailed balance.
\(\chi = \frac{P_{\omega o}}{P_{\omega n}}e^{-\beta\Delta U}\)
Arguments
Trial arguments.
TrialStage arguments.
particle_type: See TrialSelect.
config: See TrialSelect.