May  9 2025   9:25:46.766 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     498063.         0.00000         0.00000    
        40     498063.        0.577232E-01    0.193317E-10
        80     498063.        0.240003        0.176957E-10
       120     498063.        0.547014        0.131592E-10
       160     498062.        0.978900        0.421800E-11
       200     498062.         1.53586       -0.105831E-10
       240     498061.         2.21817       -0.326955E-10
       280     498060.         3.02614       -0.636511E-10
       320     498059.         3.96016       -0.104996E-09
       360     498058.         5.02067       -0.158074E-09
       400     498057.         6.20816       -0.224350E-09
 
  Elapsed cpu time for main computation:
     10.7861     seconds
 
md():
  Normal end of execution.
 
May  9 2025   9:25:57.581 PM