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TeamOverkill / md

Molecular Dynamics
MIT License
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Add initialiser to initialise system #1

Closed slaymuel closed 6 years ago

slaymuel commented 6 years ago

Set up atomic coordinates.

  1. Assign random coordinates.
  2. Randomly displace each atom iteratively until there is no overlap
SHervoe-Hansen commented 6 years ago
  1. Assign random velocities according to the Maxwell-Boltzmann distribution, which depends on a) target/reference temperature b) mass of the individual particles.
slaymuel commented 6 years ago

Done!