The program md.f implements a simple molecular dynamics simulation in continuous real space. The velocity Verlet algorithm is used to implement the time stepping. The force and energy computations are performed in parallel, as is the time integration

采用伦纳德-琼斯势。r由均匀随机数产生，v，a赋零。边界条件为周期边界条件。采用的算法是速度verlet算法。 模拟的系综是正则系综。