https://en.wikipedia.org/wiki/Molecular_dynamics\ Molecular dynamics are the use of computer simulations to numerically estimate the trajectory of a system.
Molecular dynamics simulations typically have 5 main steps.
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Initialization of particle positions and particle velocities.
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Calculate forces and update positions and velocities according to an integration technique.
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Apply boundary conditions and control temperature or pressure if needed.
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Calculate relevant statistics of the system.
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Repeat step 2-4 until a fixed number of time steps have elapsed.
-Add GUI widgets for Matplotlib and graphing -add text boxes for FPS and system values (temp, P, etc) -add in color mapping for velocity? more red = faster particle, switch with arrows? -improve performance, possibly add C bindings for force calculation -rewrite perft function to benchmark force calculation
https://arxiv.org/pdf/2001.07089.pdf\ http://physics.weber.edu/schroeder/md/InteractiveMD.pdf\ http://www.courses.physics.helsinki.fi/fys/moldyn/lectures/L4.pdf\ https://web.northeastern.edu/afeiguin/p4840/p131spring04/node41.html\ https://arxiv.org/pdf/1111.2705.pdf\ http://fab.cba.mit.edu/classes/864.11/people/dhaval_adjodah/final_project/write_up_boltzmann.pdf