lj_monte_carlo/README.md

lj_monte_carlo

Simple Lennard Jones Liquid MC simulation implemented in Rust

To compile, run:

// release builds are much faster because of enabled lto
cargo build --release

The compiled binary can then be found in target/release.

Phase diagram of a 6-12 lj fluid

(cutoff rc of 3.5 sigma)

Source: Ge J. et ak., Scaling behavior for a pressure and energy of shearing fluids. Phys Rev 061201, p. 67-68, 2003

Function of State

Function of state at different temperatures. 512 particles were simulated with applied potential shift and tailcorrection. Displacement scaled to have 33% acceptance rate during 1mio steps. Averages over 100k steps.