Linux> md.py
Fri Dec 26 11:31:45 2014

MD_TEST
  Test the MD molecular dynamics program.

MD
  Python version
  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
       150   124747.480913     1370.055876       0.0135308
       200   124749.545621     1371.804833       0.0135614
       250   124749.956884     1371.964335        0.013566
       300   124749.982752     1372.758320       0.0135726
       350   124750.000000     1372.960786       0.0135744
       400   124750.000000     1373.210025       0.0135764
       450   124750.000000     1373.210025       0.0135764
       500   124750.000000     1373.210025       0.0135764

    Elapsed wall clock time = 3241.55 seconds.

MD_TEST
  Normal end of execution.

Fri Dec 26 12:25:51 2014
Linux>