Code for parallel MD simulations written in C++, OpenMP with analysis code in Python. Available integrators: NVE, Nose-Hoover and Langevin dynamics Available potentials: harmonic, Lennard-Jones (LJ), Weeks-Chandler-Andersen (WCA), binary LJ, LJ-WCA, LJ+-
Usage
- git clone
- mkdir bin; make
- change executable in makefile to compile different scripts (compress.cpp, test.cpp, runNVE.cpp)
Ex. 2D packing of polydisperse disks with packing fraction 0.72
