bauer/lj_monte_carlo

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danijoo cf1a901fcf fixed vacuum space initial conditions

2017-01-22 01:47:13 +01:00

fixed vacuum space initial conditions

2017-01-22 01:47:13 +01:00

.gitignore

writing trajectories

2017-01-22 00:50:15 +01:00

Cargo.lock

Cmd args and nice output alignment

2017-01-21 15:36:53 +01:00

Cargo.toml

Cmd args and nice output alignment

2017-01-21 15:36:53 +01:00

mclj.iml

initial

2017-01-21 14:03:08 +01:00

phase_diagram.png

readme

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README.md

readme

2017-01-22 01:07:39 +01:00

trjconv.py

script to filter trajectories

2017-01-22 01:07:15 +01:00

README.md

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:

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