Analysis Tools

Path histograms

PathHistogram(left_bin_edges, bin_widths[, ...])

N-dim sparse histogram for trajectories.

PathDensityHistogram(cvs, left_bin_edges, ...)

Histogram for path density plot.

Replica network analysis

ReplicaNetwork(scheme, steps[, replicas])

Analysis tool for networks of replica exchanges.


Wrapper for NetworkX graph object generated by replica exchange network.

Other analysis tools

ChannelAnalysis(steps, channels[, replica])

Analyze path sampling simulation for multiple channels.

ShootingPointAnalysis(steps, states[, ...])

Container and methods for shooting point analysis.