Data from "Liquid-liquid transition in water from first principles"

This dataset contains all data relevant to a forthcoming publication in which we used molecular simulation methods to study the phase behavior of supercooled water. The dataset contains simulation input and output files, processed data files, and image files used to create all plots in the manuscript. Python analysis scripts are also included, including instructions for how to re-generate all plots in the manuscript. Each major directory in the dataset contains its own README file with specific information about each directory and the data/scripts contained therein.