py-xPT: Two- and three-phase thermodynamics (2PT/3PT) entropy and free energy from molecular dynamics

py-xPT computes the absolute entropy and free energy of liquids from a single equilibrium molecular-dynamics trajectory using the two-phase (2PT) and three-phase (3PT) density-of-states methods: velocity DoS partitioning, Mori-Zwanzig memory-kernel cage extraction, hard-sphere/harmonic weighting, and Yeh-Hummer finite-size corrections. Mirror of https://github.com/atlas-nano/codes/tree/main/py-xPT .