# SIMULATION
md.init_simulation(nx=nx,
ny=ny,
nz=nz,
a=0.37317,
R=R,
T0=T0,
m=m,
f=f,
L=L,
epsilon=epsilon,
dt=dt)
x,y,z,px,py,pz = md.set_particles()
Ek = np.zeros(snapshots+1)
V = np.zeros(snapshots+1)
Vs = np.zeros(snapshots+1)
T = np.zeros(snapshots+1)
P = np.zeros(snapshots+1)
t = np.arange(float(snapshots+1))
t *= dt*steps_per_snapshot
t_max = np.max(t)
# Oth step
stats = md.system_stats()
Ek[0] = stats[0]
V[0] = stats[1]
# GIVE TIME OF EVOLUTION IN PS AND NUMBER OF POINTS
time=15
snapshots=int(round(time/dt))
steps_to_be_done = int(round(time/dt))
steps_per_snapshot = steps_to_be_done/snapshots
md.init_simulation(nx=nx,
ny=ny,
nz=nz,
a=0.37317,
R=R,
T0=T0,
m=m,
f=f,
L=L,
epsilon=epsilon,
dt=dt)
md.set_particles()
Ts = np.logspace(0.,4.,num=10,endpoint=False)
for T in Ts:
print(T)
md.change_T(T)
md.termalize()
md.simulate(1.,100,10)
md.end()
