tension results
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README.md
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README.md
@@ -26,7 +26,7 @@ Function of state at different temperatures. 512 particles were simulated with a
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Energy minimization for a box of 2048 particles at T=0.9 and Density=0.7
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## Coexisting liquid/vapor phases
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2048 particles were inserted into a box at T=1.0 and density=0.85 (Dimensions 13.406/13.406/40.218), no tailcorrection, cutoff 2.5. The particles filled 1/3 of the box with vacuum space above and below the liquid slab. Finally, a simulation was run for 50000+5000 Cycles (each 2048 steps) writing a frame every cycle.
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**2048 particles** were inserted into a box at **T=1.0** and **density=0.85** (**Dimensions 13.406/13.406/40.218**), **no tailcorrection, cutoff 2.5**. The particles filled 1/3 of the box with vacuum space above and below the liquid slab. Finally, a simulation was run for **50000+5000 Cycles** (each 2048 steps) writing a frame every cycle.
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Density profile avg. over the last 5000 cycles.
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@@ -35,5 +35,9 @@ Density profile avg. over the last 5000 cycles.
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Chemical potential over all 55000 cycles. z=11.07 and z=27.57 were chosen as liquid boundaries. For every frame, 100 particles insertions per phase were performed.
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Surface tension: Running average over the last 5000 Cycles. **TODO shift virial**
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Surface tension: Running average over the last 5000 Cycles.
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P_zz: -0.05981
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P_xy: -0.06715
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Tension: 0.14756
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**TODO shift virial**
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**TODO Large sampling is required here. Tension has lots of ups and downs over the 5000 steps (.1 to .25). Increase number of steps to get a better average.**
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