mcmdMonte Carlo and Molecular Dynamics Simulation PackageC++★ 95atomicchemistrycrystalcrystal-structuregas-dynamicsgas-modelmolecular-dynamicsmolecular-dynamics-simulationk@khavernathy++
lammps-input-filesLAMMPS inputs and data filescode★ 307all-atomsatomicgrapheneinputsionslammpslammps-inputmoleculars@simongravelle++