#import the appropriate ESyS-Particle modules: from esys.lsm import * from esys.lsm.util import Vec3, BoundingBox #instantiate a simulation object #and initialise the neighbour search algorithm: sim = LsmMpi(numWorkerProcesses=1, mpiDimList=[1,1,1]) sim.initNeighbourSearch( particleType="NRotSphere", gridSpacing=2.5, verletDist=0.5 ) #set the number of timesteps and timestep increment: sim.setNumTimeSteps(10000) sim.setTimeStepSize(0.001) #specify the spatial domain for the simulation: domain = BoundingBox(Vec3(-20,-20,-20), Vec3(20,20,20)) sim.setSpatialDomain(domain) #add the first particle to the domain: particle=NRotSphere(id=0, posn=Vec3(-5,5,-5), radius=1.0, mass=1.0) particle.setLinearVelocity(Vec3(1.0,-1.0,1.0)) sim.createParticle(particle) #add the second particle to the domain: particle=NRotSphere(id=1, posn=Vec3(5,5,5), radius=1.5, mass=2.0) particle.setLinearVelocity(Vec3(-1.0,-1.0,-1.0)) sim.createParticle(particle) #specify the type of interactions between colliding particles: sim.createInteractionGroup( NRotElasticPrms( name = "elastic_repulsion", normalK = 10000.0, scaling = True
sim.initNeighbourSearch(
particleType="NRotSphere",
gridSpacing=0.2,
verletDist=0.1
)
# set the number of timesteps and timestep increment:
sim.setNumTimeSteps(5000000)
sim.setTimeStepSize(0.0001)
L = 10
Ld = L + 1
kT = 0.1
a = sqrt(kT)
# specify the spatial domain for the simulation:
domain = BoundingBox(Vec3(-Ld, -Ld, -Ld), Vec3(Ld, Ld, Ld))
sim.setSpatialDomain(
bBox=domain, circDimList=[False, False, False])
# add a cube of particles to the domain:
#cube = CubicBlock(dimCount=[20, 20, 20], radius=0.05)
#sim.createParticles(cube)
N = 100
seed(1234)
for n in range(N):
p = NRotSphere(id=n, posn=uniform(), radius=0.05, mass=1.0)
sim.createParticle(p)
for n in range(sim.getNumParticles()):
sim.setParticleVelocity(
id=n,
Velocity=Vec3(a*randn(), a*randn(), a*randn()))