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ubsuny / 23-Homework7G4

Molecular Simulation - Equilibrium Configurations of Na₄Cl₄ Tetramers: This repository contains code and analysis for a computational physics homework assignment focused on simulating and determining the equilibrium configurations of Na₄Cl₄ clusters for tetramers (n=4).
https://github.com/ubsuny/23-Homework7G4
MIT License
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Using a random guess to try for equilibrium configurations #54

Closed WildJimmy closed 1 year ago

WildJimmy commented 1 year ago

Right now I'm messing around with trying to just randomly get some of the more complex configurations. By random I literally mean using 

r_na = np.random.rand(4,3)
r_cl = np.random.rand(4,3)

Which actually gets me somewhere, but I usually end up with either structures 2 or 3 which is not entirely useful. Do you think running this on a loop until I reach (around) a set equilibrium energy would be fruitful? This is the tactic I'm debating to make this at least a little more methodical

WildJimmy commented 1 year ago

Well it worked well enough I suppose so I'll close this issue