def Task4a_iii_fast():
print("TASK : Task4a_iii")
maxTime = 10
t, N, T = SetTime(maxTime, increments)
t_initial = 190
particles = MDGenerators.PopulateCreateCrystalStructure(
3, "Ar", 1.7, N, constants.mass, t_initial)
MDFunctions.MoveToCentreOfBox(particles)
MDSolver.solveFaster(MDSolver.velocityVerletFast2, particles, maxTime, N)
#temp = MDFunctions.ComputeTemperatureReduced(N-1, particles, constants.eps)
#print(f"AT time {maxTime} temperature is {temp} kelvin")
chartName = f"4a) iii Temp ({t_initial} K) (fast)"
MDPlot.plotTemperature(particles, t, N, chartName, "4a_iii_fast")
def Task4a_ii_fast():
print("TASK : Task4a_ii")
maxTime = 1.5
t, N, T = SetTime(maxTime, increments)
t_initial = 300
particles = MDGenerators.PopulateCreateCrystalStructure(
3, "Ar", 1.7, N, constants.mass, t_initial)
MDFileWriter.WriteFirstFrame(particles, "firstFrame", N)
#MDFunctions.MoveToCentreOfBox(particles)
MDSolver.solveFaster(MDSolver.velocityVerletFast2, particles, maxTime, N)
#MDSolver.solve(MDSolver.velocityVerlet, particles, maxTime, N, constants.eps, constants.sig)
MDFileWriter.WriteXYZFile(particles, "checkthis_fast", N)
chartName = f"4a) ii Temp ({t_initial} K) (fast)"
MDPlot.plotTemperature(particles, t, N, chartName, "4a_ii_fast")