March 29 2023   8:15:39.897 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     498070.         0.00000         0.00000    
        40     498070.        0.565370E-01    0.189548E-10
        80     498070.        0.235069        0.174777E-10
       120     498069.        0.535759        0.133838E-10
       160     498069.        0.958739        0.532081E-11
       200     498068.         1.50419       -0.805666E-11
       240     498068.         2.17236       -0.280467E-10
       280     498067.         2.96352       -0.560330E-10
       320     498066.         3.87803       -0.933056E-10
       360     498065.         4.91629       -0.141186E-09
       400     498064.         6.07874       -0.200992E-09
 
  Elapsed cpu time for main computation:
     12.3200     seconds
 
MD:
  Normal end of execution.
 
March 29 2023   8:15:52.248 AM