Multihistogram_NVT

ParallelTemperingMonteCarlo.Multihistogram_NVT.multihistogram_NVTMethod
multihistogram_NVT(ensemble::AbstractEnsemble, temp::TempGrid, results::Output, conv_threshold::Number, readfile::Bool; debug = false)

Multihistogram analysis for NVT:

  • conv_threshold is the convergence threshold, which user can choose.
  • debug kwarg determines whether to print debug information. Defaults to false.
  • readfile can only be false.
  • Example: multihistogram_NVT(ensemble, temp, results, 10^(-3), false)
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