March 29 2023   8:15:27.869 AM
 
md():
  FORTRAN90 version
  A molecular dynamics program.
 
  Enter ND, the spatial dimension (2 or 3 ):
 
  Enter NP, the number of particles (500, for instance):
 
  Enter STEP_NUM, the number of time steps (500, for instance):
 
  ND, the spatial dimension, is        3
  NP, the number of particles in the simulation is     1000
  STEP_NUM, the number of time steps, is      400
  DT, the size of each time step, is   0.100000E-03
 
  Initializing positions, velocities, and accelerations.
 
  Computing initial forces and energies.
 
  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     498058.         0.00000         0.00000    
        40     498058.        0.562137E-01    0.188303E-10
        80     498058.        0.233727        0.172740E-10
       120     498057.        0.532705        0.129745E-10
       160     498057.        0.953287        0.449105E-11
       200     498056.         1.49567       -0.958445E-11
       240     498056.         2.16009       -0.306594E-10
       280     498055.         2.94687       -0.601520E-10
       320     498054.         3.85637       -0.994480E-10
       360     498053.         4.88901       -0.149993E-09
       400     498052.         6.04527       -0.213305E-09
 
  Elapsed cpu time for main computation:
     11.6928     seconds
 
MD:
  Normal end of execution.
 
March 29 2023   8:15:39.592 AM