An event driven molecular dynamics program (WIP). Event driven dynamic simulation is a fast simulation technique by way of looking for the next interaction for each particle, resolving the molecular dynamic simulation to a simple sorting issue. This has the added advantage of modelling perfecty hard sphere particles with no force field necessary.
The goal of this package is to perform simple ballistic or fluid mediated simulation of a very large system of hard spheres. Previous codes I have worked on have only been efficient enough to deal with O(10^3) particles in decent time. For this project, I want to be able to simulate at O(10^6). The key will be parallelisation and giving agency to the particle.
- Plain ballistic simulation of particles by impulsive interaction.
- Simple parallel acceleration.
- Trajectory logging (to tab separated value, .tsv).
- Heavier parallelisation, more work dished out to threads and off the main thread.
- Frictional interaction.
- Interstitial fluid interaction.
- Acceptable speed (< 1min/unit) up to 10^3 particles
- Acceptable speed (< 1min/unit) up to 10^4 particles
- Acceptable speed (< 1min/unit) up to 10^5 particles
- Acceptable speed (< 5min/unit) up to 10^6 particles
- Acceptable speed (< 10min/unit) up to 10^7 particles
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