/moldyn

Molecular Dynamics Code

Primary LanguageFortran

Molecular dynamics program for LJ fluid

October 2010 by H. Frentrup, C. Avendano and E.A. Muller

This code was designed to study the diffusion behaviour of the Lennard Jones fluid in slit pores.

This branch nemd simulates a non-equilibrium fluid, where a force is applied at the system box's boundary in a direction orthogonal to the pore. The calculation of transport diffusion coefficients is possible via Fick's Law equation.