#
import espressomd
from espressomd import assert_features, electrostatics
from espressomd import visualization_opengl
import numpy
from threading import Thread
from time import sleep
assert_features(["ELECTROSTATICS", "MASS", "LENNARD_JONES"])
system = espressomd.System(box_l=[1.0, 1.0, 1.0])
system.seed = system.cell_system.get_state()['n_nodes'] * [1234]
numpy.random.seed(system.seed)
visualizer = visualization_opengl.openGLLive(system,
drag_force=5 * 298,
background_color=[1, 1, 1],
light_pos=[30, 30, 30])
# Callbacks to control temperature
temperature = 298.0
def increaseTemp():
global temperature
temperature += 10
system.thermostat.set_langevin(kT=temperature, gamma=1.0)
print("T = {:.0f} K".format(temperature))
def decreaseTemp():
global temperature
from espressomd import thermostat
from espressomd import integrate
import numpy as np
from threading import Thread
from espressomd import visualization_opengl
required_features = []
espressomd.assert_features(required_features)
print("Press u/j to change temperature")
box_l = 10.0
system = espressomd.System(box_l=[box_l] * 3)
system.set_random_state_PRNG()
visualizer = visualization_opengl.openGLLive(system,
drag_enabled=True,
drag_force=100)
system.time_step = 0.00001
system.cell_system.skin = 3.0
N = 50
for i in range(N):
system.part.add(pos=[0, 0, 0])
system.thermostat.set_langevin(kT=1.0, gamma=1.0, seed=42)
# Callback for particle positions/velocities
def spin():
box_l = (n_ionpairs * sum(masses.values()) / density)**(1. / 3.)
box_z = box_l + 2.0 * (lj_sigmas["Electrode"])
box_volume = box_l * box_l * box_z
elc_gap = box_z * 0.15
system.box_l = [box_l, box_l, box_z + elc_gap]
system.periodicity = [1, 1, 1]
system.time_step = time_step
system.cell_system.skin = 0.3
system.thermostat.set_langevin(kT=temp, gamma=gamma, seed=42)
# Visualizer
visualizer = visualization_opengl.openGLLive(
system,
camera_position=[-3 * box_l, box_l * 0.5, box_l * 0.5],
camera_right=[0, 0, 1],
drag_force=5 * 298,
background_color=[1, 1, 1],
light_pos=[30, 30, 30],
ext_force_arrows_type_scale=[0.0001],
ext_force_arrows=False)
# Walls
system.constraints.add(shape=Wall(dist=0, normal=[0, 0, 1]),
particle_type=types["Electrode"])
system.constraints.add(shape=Wall(dist=-box_z, normal=[0, 0, -1]),
particle_type=types["Electrode"])
# Place particles
for i in range(int(n_ionpairs)):
p = numpy.random.random(3) * box_l
p[2] += lj_sigmas["Electrode"]
temp_change_inc_type = 4
temp_change_dec_type = 5
dtemp = 1000.0
# VISUALIZER
zoom = 10
visualizer = openGLLive(system,
window_size=[800, 600],
draw_axis=False,
particle_sizes=[
snake_head_sigma * 0.5, snake_bead_sigma * 0.5,
cylinder_sigma, bubble_sigma * 0.5,
temp_change_radius, temp_change_radius
],
particle_type_colors=[[1, 1, 0], [1, 0, 1], [0, 0, 1],
[0, 1, 1], [0, 1, 0], [1, 0, 0],
[0.5, 0, 1]],
constraint_type_colors=[[1, 1, 1]],
camera_position=[
snake_startpos[0], snake_startpos[1],
system.box_l[2] * zoom
],
camera_target=snake_startpos)
# JOYPAD CONTROL
if has_pygame:
pygame.init()
pygame.joystick.init()
# CHECK FOR JOYSTICKS
for i in range(3):
system.non_bonded_inter[i, 2].lennard_jones.set_params(
epsilon=lj_eps, sigma=lj_sig, cutoff=lj_cut, shift="auto")
visualizer = openGLLive(
system,
background_color=[0.2, 0.2, 0.3],
camera_position=[box_l / 2.0, box_l / 4.0, 20 * 3],
particle_sizes=[0.6, 0.75, 0.9, 0.2],
particle_type_materials=['bright', 'bright', 'plastic', 'chrome'],
particle_type_colors=[[0.2, 0.2, 0.8, 1],
[0.8, 0.2, 0.2, 1],
[1, 1, 1, 1],
[0.8, 0.8, 0.8, 1]],
bond_type_materials=['chrome'],
bond_type_colors=[[0.2, 0.2, 0.2, 0.5]],
bond_type_radius=[0.1],
constraint_type_colors=[[1, 1, 1, 0.5]],
constraint_type_materials=['chrome'],
spotlight_brightness=5.0,
spotlight_focus=100,
spotlight_angle=60,
light_brightness=1.0,
ext_force_arrows=False,
draw_axis=False,
draw_box=False,
drag_enabled=True)
def rotate():
visualizer.camera.rotateSystemXL()
""" Visualization sample for charged particles. Simulates a pool of particles with various charges, LJ parameters and masses.
"""
import espressomd
from espressomd.visualization_opengl import openGLLive
from espressomd import electrostatics
import numpy as np
required_features = ["ELECTROSTATICS", "LENNARD_JONES", "MASS"]
espressomd.assert_features(required_features)
box = [40, 40, 40]
system = espressomd.System(box_l=box)
system.cell_system.set_domain_decomposition(use_verlet_lists=True)
visualizer = openGLLive(system, background_color=[
1, 1, 1], drag_enabled=True, drag_force=10)
system.set_random_state_PRNG()
# TIMESTEP
time_step_fs = 1.0
system.time_step = time_step_fs * 1.0e-2
system.cell_system.skin = 1.2
# TEMPERATURE
SI_temperature = 400.0
kb_kjmol = 0.0083145
temperature = SI_temperature * kb_kjmol
# COULOMB PREFACTOR (elementary charge)^2 / (4*pi*epsilon_0) in Angstrom * kJ/mol
epsilon_r = 4.0
required_features = ["LB_BOUNDARIES"]
espressomd.assert_features(required_features)
system = espressomd.System(box_l=[10.0, 10.0, 5.0])
system.set_random_state_PRNG()
system.time_step = 0.01
system.cell_system.skin = 0.4
lb_fluid = espressomd.lb.LBFluid(
agrid=1.0, dens=1.0, visc=1.0, tau=0.01, ext_force_density=[0, 0, 0.15])
system.actors.add(lb_fluid)
cylinder_shape = espressomd.shapes.Cylinder(
center=[5.0, 5.0, 5.0],
axis=[0, 0, 1],
direction=-1,
radius=4.0,
length=20.0)
cylinder_boundary = espressomd.lbboundaries.LBBoundary(shape=cylinder_shape)
system.lbboundaries.add(cylinder_boundary)
visualizer = visualization_opengl.openGLLive(
system,
background_color=[1, 1, 1],
camera_position=[5, 5, 25],
LB_draw_boundaries=True,
LB_draw_nodes=True,
LB_draw_node_boundaries=True)
visualizer.run(1)
"""
import espressomd
from espressomd.visualization_opengl import openGLLive
import numpy as np
required_features = ["LENNARD_JONES"]
espressomd.assert_features(required_features)
box = [40, 30, 20]
system = espressomd.System(box_l=box)
system.set_random_state_PRNG()
visualizer = openGLLive(system,
window_size=[800, 800],
background_color=[0, 0, 0],
camera_position=[20, 15, 80],
particle_coloring='node',
draw_nodes=True,
draw_cells=True)
system.time_step = 0.0005
system.cell_system.set_domain_decomposition(use_verlet_lists=True)
system.cell_system.skin = 0.4
for i in range(100):
system.part.add(pos=box * np.random.random(3))
system.non_bonded_inter[0, 0].lennard_jones.set_params(epsilon=100.0,
sigma=1.0,
cutoff=3.0,
shift="auto")
Numpad 5: Shoot''')
# ESPRESSO
system = espressomd.System(box_l=[1.0, 1.0, 1.0])
table_dim = [2.24, 1.12]
system.box_l = [table_dim[0], 3, table_dim[1]]
visualizer = openGLLive(
system,
ext_force_arrows=True,
ext_force_arrows_type_scale=[0.02],
ext_force_arrows_type_radii=[0.01],
background_color=[0.5, 0.4, 0.5],
drag_enabled=False,
particle_type_materials=['medium', 'bright', 'bright', 'medium'],
particle_type_colors=[[1, 1, 1], [0.5, 0.1, 0.1], [0.1, 0.2, 0.4],
[0.2, 0.2, 0.2]],
constraint_type_materials=['dark'],
constraint_type_colors=[[0.1, 0.424, 0.011], [0.1, 0.1, 0.1]],
camera_position=[1.12, 2.8, 0.56],
window_size=[1000, 600],
draw_axis=False,
light_pos=[table_dim[0] * 0.5, 1.0, table_dim[1] * 0.5],
light_colors=[[0.8, 0.8, 0.8], [0.9, 0.9, 0.9], [1.0, 1.0, 1.0]],
light_brightness=1.0)
class Billiards:
def __init__(self):
self.stopped = True
self.angle = np.pi * 0.5
self.impulse = 10.0