May  9 2025   9:25:57.854 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     498047.         0.00000         0.00000    
        40     498046.        0.572442E-01    0.191754E-10
        80     498046.        0.238012        0.175619E-10
       120     498046.        0.542474        0.130603E-10
       160     498046.        0.970776        0.419839E-11
       200     498045.         1.52312       -0.104970E-10
       240     498044.         2.19976       -0.325034E-10
       280     498044.         3.00103       -0.632852E-10
       320     498043.         3.92730       -0.104306E-09
       360     498042.         4.97902       -0.157096E-09
       400     498040.         6.15667       -0.223174E-09
 
  Elapsed cpu time for main computation:
     11.4540     seconds
 
md():
  Normal end of execution.
 
May  9 2025   9:26:09.339 PM