Tue Oct 19 11:59:39 2021

MD_TEST
  Python version: 3.6.9
  Test the MD molecular dynamics program.

md():
  Python version: 3.6.9
  A molecular dynamics program.

  D_NUM, the spatial dimension, is 3
  P_NUM, the number of particles in the simulation is 100.
  STEP_NUM, the number of time steps, is 10.
  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     4935.342534        0.000000               0
         1     4935.342534        0.088316     1.78946e-05
         2     4934.630971        0.794843     1.68742e-05
         3     4933.182313        2.220219      1.2157e-05
         4     4930.957918        4.406429     4.41983e-06
         5     4927.959141        7.396230     2.60095e-06
         6     4924.299685       11.172573     2.62846e-05
         7     4920.291243       15.577698     0.000106661
         8     4916.447653       20.248639     0.000274299
         9     4913.409521       24.632620     0.000546995
        10     4911.729488       28.120499     0.000913301

    Elapsed wall clock time = 2.20955 seconds.

MD_TEST
  Normal end of execution.
Tue Oct 19 11:59:40 2021