February 20 2025   5:45:22.235 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     498028.         0.00000         0.00000    
        40     498028.        0.585842E-01    0.196170E-10
        80     498027.        0.243583        0.179692E-10
       120     498027.        0.555172        0.133971E-10
       160     498027.        0.993496        0.439677E-11
       200     498026.         1.55876       -0.105303E-10
       240     498025.         2.25124       -0.328606E-10
       280     498025.         3.07124       -0.641028E-10
       320     498024.         4.01916       -0.105740E-09
       360     498023.         5.09545       -0.159310E-09
       400     498021.         6.30060       -0.226301E-09
 
  Elapsed cpu time for main computation:
     11.7980     seconds
 
md():
  Normal end of execution.
 
February 20 2025   5:45:34.063 PM