Brief summary of the contents of each folder:
PhaseDiagram: This folder contains the jupyter-notebook for determining triple points and plotting the full phase diagrams.EnhancedCoexistence: This folder contains the results and analysis from enhanced coexistence simulations.Gibbs: This folder contain raw data and analysis scripts for Gibbs-Duhem simulations for determination of coexistence lines.Model: This folder contains the DeePMD model, training set, and output from model trasining.Performance: This folder contains the raw data and analysis used in benchmarking the DNN@MB-pol model.