May  9 2025   9:25:35.468 PM
 
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     498078.         0.00000         0.00000    
        40     498077.        0.578823E-01    0.194102E-10
        80     498077.        0.240663        0.178583E-10
       120     498077.        0.548512        0.135713E-10
       160     498077.        0.981565        0.513013E-11
       200     498076.         1.54002       -0.887190E-11
       240     498075.         2.22411       -0.298118E-10
       280     498074.         3.03416       -0.591049E-10
       320     498074.         3.97052       -0.981598E-10
       360     498072.         5.03361       -0.148362E-09
       400     498071.         6.22391       -0.211200E-09
 
  Elapsed cpu time for main computation:
     11.0525     seconds
 
md():
  Normal end of execution.
 
May  9 2025   9:25:46.550 PM