Fortran Code for simulation simple harmonic oscilator.

program shm implicit none ! real (kind=16) ::dt=20, m=1, v=0, x=1 , real (kind=16) ::dt=0.1, m=1, v=0, x=1 , & k, f, f1, pe,ke, y integer ::i ! k= 2e-7 k= 1 open (11,file='trajectory',status='unknown') open (12,file='energy',status='unknown') open (13,file='traj.xyz',status='unknown') do i= 1,10000 f= -k*x x = x + dt*v + f/(2*m) * dt**2 f1= -k*x v= v + (f1+f)*dt/(2*m) pe= 0.5*k*x**2 ke= 0.5*m*v**2 !.............writing the trajectory in the file write (11,*) i*dt,x,v write (12,*) x,pe,ke !................................ !.... writing trajectory in VMD................ write (13,*) 1 ! 1 indicate that we have one particle write (13,*) !here you can write comment or else leave it blank write (13,*) "m",x,0,0 ! here you can write the position coordinates !.............................................. end do !................. important information....................... print *, "file= trajectory = i*dt,x,v" print *, "file= energy = x,pe,ke " print *, "file= traj_vmd.xyz = x,pe,ke " !................................................. end program

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