diff --git a/README.md b/README.md index 4bf467a..616e797 100644 --- a/README.md +++ b/README.md @@ -1,13 +1,25 @@ # lj_monte_carlo Simple Lennard Jones Liquid MC simulation implemented in Rust -Phase diagram of a 6-12 lj fluid with a cutoff rc of 3.5 sigma: +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) ![phase diagram of a lj fluid](https://www.researchgate.net/profile/Billy_Todd/publication/7525791/figure/fig1/AS:280682271133696@1443931276144/FIG-1-Phase-diagram-for-the-6-12-Lennard-Jones-fluid-with-a-cutoff-radius-of-r-c-35.png) Source: Ge J. et ak., Scaling behavior for a pressure and energy of shearing fluids. Phys Rev 061201, p. 67-68, 2003 # Results -![Minimization](results/FoS/FoS.png) -Minimization with 512 particles +Some results obtained during the creation of this project + ![Function of state](results/FoS/FoS.png) +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. + +![Minimization](results/energy_minimization/energy_minimization.png)