def Task4b_simAndWrite():
print("TASK : Task4b_ii_write")
maxTime = 1.5
t, N, T = SetTime(maxTime, increments)
particles = MDGenerators.PopulateCreateCrystalStructure(
4, "Ar", 1.7, N, constants.mass, 190)
MDFunctions.MoveToCentreOfBox(particles)
MDSolver.solveFaster(MDSolver.velocityVerletFast2, particles, maxTime, N)
MDFileWriter.WriteEverything(particles, "4b_ii_everything", N)
def Task4d_i_write(nGrid, sigmaDistance, initTemperature, filename):
print("TASK : Task4b_ii_write+ ")
maxTime = 2
t, N, T = SetTime(maxTime, increments)
particles = MDGenerators.PopulateCreateCrystalStructure(
nGrid, "Ar", sigmaDistance, N, constants.mass, initTemperature)
MDFunctions.MoveToCentreOfBox(particles)
MDSolver.solveFaster(MDSolver.velocityVerletFast2, particles, maxTime, N)
MDFileWriter.WriteEverything(particles, filename, N)