March 29 2023   8:14:55.223 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     498150.         0.00000         0.00000    
        40     498150.        0.508193E-01    0.170262E-10
        80     498150.        0.211297        0.156770E-10
       120     498149.        0.481580        0.119262E-10
       160     498149.        0.861790        0.453965E-11
       200     498149.         1.35209       -0.770774E-11
       240     498148.         1.95271       -0.260394E-10
       280     498147.         2.66391       -0.516661E-10
       320     498146.         3.48600       -0.857948E-10
       360     498146.         4.41935       -0.129736E-09
       400     498145.         5.46437       -0.184672E-09
 
  Elapsed cpu time for main computation:
     19.8015     seconds
 
MD:
  Normal end of execution.
 
March 29 2023   8:15:15.075 AM