bauer/lj_monte_carlo
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Merge branch 'master' of https://github.com/danijoo/lj_monte_carlo

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Daniel Bauer
2017-01-27 15:11:42 +01:00
parent 98bd75ebfd 5832b0f7ff
commit 6f94757535
2 changed files with 3 additions and 19 deletions
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6
README.md
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@@ -3,8 +3,8 @@ Simple Lennard Jones Liquid MC simulation implemented in Rust
To compile, run:
```
/ release builds are much faster because of enabled lto
cargo build --release /
// release builds are much faster because of enabled lto
cargo build --release
```
The compiled binary can then be found in ```target/release.```
@@ -19,7 +19,7 @@ Source: Ge J. et ak., Scaling behavior for a pressure and energy of shearing flu
Some results obtained during the creation of this project
![Function of state](results/FoS/FoS.png)
![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)

16
mclj.iml
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@@ -1,16 +0,0 @@
<?xml version="1.0" encoding="UTF-8"?>
<module type="RUST_MODULE" version="4">
<component name="NewModuleRootManager" inherit-compiler-output="true">
<exclude-output />
<content url="file://$MODULE_DIR$">
<sourceFolder url="file://$MODULE_DIR$/src" isTestSource="false" />
<sourceFolder url="file://$MODULE_DIR$/examples" isTestSource="false" />
<sourceFolder url="file://$MODULE_DIR$/tests" isTestSource="true" />
<sourceFolder url="file://$MODULE_DIR$/benches" isTestSource="true" />
<excludeFolder url="file://$MODULE_DIR$/target" />
</content>
<orderEntry type="sourceFolder" forTests="false" />
<orderEntry type="library" name="Rust &lt;mclj&gt;" level="project" />
<orderEntry type="library" name="Cargo &lt;mclj&gt;" level="project" />
</component>
</module>