Multihistogram_NPT
ParallelTemperingMonteCarlo.Multihistogram_NPT.multihistogram_NPT — Method
multihistogram_NPT(ensemble::AbstractEnsemble, temp::TempGrid, results::Output, conv_threshold::Number, readfile::Bool; debug = false)Multihistogram analysis for NPT:
conv_thresholdis the convergence threshold, which user can choose.debugkwarg determines whether to print debug information. Defaults to false.- Now "readfile" can only be false.
- Example:
multihistogram_NPT(ensemble, temp, results, 10^(-3), false)