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DESCRIPTION

This is simplemd, a very simple molecular dynamics software
which can be used to simulate Lennard-Jones systems.

It has been written with the purpose of teaching molecular dynamics
and of being easily readable.

TREE

src/ source code along with a README file documenting input options
xyz/ sample input files
cpp/ c++ version of the code. this is the same code included in plumed2
python/ python version of the code (STILL UNDER DEVELOPMENT)

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A simple Lennard-Jones molecular dynamics software

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  • C++ 43.4%
  • Fortran 35.2%
  • Python 21.0%
  • Shell 0.4%