Multihistogram_NPT

ParallelTemperingMonteCarlo.Multihistogram_NPT.multihistogram_NPTMethod
multihistogram_NPT(ensemble::AbstractEnsemble, temp::TempGrid, results::Output, conv_threshold::Number, readfile::Bool; debug = false)

Multihistogram analysis for NPT:

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