Thu Sep 13 10:35:16 2018

MD_TEST
  Python version: 3.6.5
  Test the MD molecular dynamics program.

MD
  A molecular dynamics program.

  D_NUM, the spatial dimension, is 3
  P_NUM, the number of particles in the simulation is 500.
  STEP_NUM, the number of time steps, is 500.
  DT, the time step size, is 0.1 seconds.

  At each step, we report the potential and kinetic energies.
  The sum of these energies should be a constant.
  As an accuracy check, we also print the relative error
  in the total energy.

      Step      Potential       Kinetic        (P+K-E0)/E0
                Energy P        Energy K       Relative Energy Error

         0   124433.847243        0.000000               0
        50   124620.809533     1361.660522       0.0124454
       100   124731.781595     1374.648255       0.0134415