Python monolayer_alt示例

示例#1

文件： test_lattice.py 项目： cationly/pybinding

import pytest

import pybinding as pb
from pybinding.repository import graphene

lattices = {
    'graphene-monolayer': graphene.monolayer(),
    'graphene-monolayer-alt': graphene.monolayer_alt(),
    'graphene-monolayer-4atom': graphene.monolayer_4atom(),
    'graphene-monolayer-nn': graphene.monolayer(2),
    'graphene-bilayer': graphene.bilayer(),
}


@pytest.fixture(scope='module',
                ids=list(lattices.keys()),
                params=lattices.values())
def lattice(request):
    return request.param


@pytest.fixture
def mock_lattice():
    a_cc, a, t = 1, 1.73, 1
    lat = pb.Lattice([a, 0], [0.5 * a, 0.866 * a])
    lat.add_sublattices(['a', (0, -a_cc / 2)], ['b', (0, a_cc / 2)])
    lat.add_hoppings([(0, 0), 'a', 'b', t], [(1, -1), 'a', 'b', t],
                     [(0, -1), 'a', 'b', t])
    lat.min_neighbors = 2
    return lat

示例#2

文件： test_system.py 项目： zx-sdu/pybinding

import pytest

import numpy as np
import pybinding as pb
from pybinding.repository import graphene, group6_tmd

models = {
    'graphene-monolayer': [graphene.monolayer(), graphene.hexagon_ac(1)],
    'graphene-monolayer-alt': [graphene.monolayer_alt(), pb.rectangle(1.6, 1.4)],
    'graphene-monolayer-4atom': [graphene.monolayer_4atom()],
    'graphene-monolayer-nn': [graphene.monolayer(2), pb.regular_polygon(6, 0.9)],
    'graphene-monolayer-periodic-1d': [graphene.monolayer(), pb.primitive(5, 5),
                                       pb.translational_symmetry(a1=True, a2=False)],
    'graphene-monolayer-periodic-1d-alt': [graphene.monolayer_4atom(), pb.rectangle(1),
                                           pb.translational_symmetry(a1=False, a2=0.6)],
    'graphene-monolayer-periodic-2d': [graphene.monolayer(), pb.primitive(a1=5, a2=5),
                                       pb.translational_symmetry(a1=1, a2=1)],
    'graphene-monolayer-4atom-periodic-2d': [graphene.monolayer_4atom(), pb.rectangle(1),
                                             pb.translational_symmetry(a1=0.6, a2=0.6)],
    'graphene-bilayer': [graphene.bilayer(), graphene.hexagon_ac(0.6)],
}


@pytest.fixture(scope='module', ids=list(models.keys()), params=models.values())
def model(request):
    return pb.Model(*request.param)


def test_pickle_round_trip(model):
    import pickle
    unpickled = pickle.loads(pickle.dumps(model.system))

示例#3

文件： test_system.py 项目： suthzx/pybinding

import pytest

import numpy as np
import pybinding as pb
from pybinding.repository import graphene, group6_tmd

models = {
    'graphene-monolayer': [graphene.monolayer(),
                           graphene.hexagon_ac(1)],
    'graphene-monolayer-alt':
    [graphene.monolayer_alt(),
     pb.rectangle(1.6, 1.4)],
    'graphene-monolayer-4atom': [graphene.monolayer_4atom()],
    'graphene-monolayer-nn':
    [graphene.monolayer(2), pb.regular_polygon(6, 0.9)],
    'graphene-monolayer-periodic-1d': [
        graphene.monolayer(),
        pb.primitive(5, 5),
        pb.translational_symmetry(a1=True, a2=False)
    ],
    'graphene-monolayer-periodic-1d-alt': [
        graphene.monolayer_4atom(),
        pb.rectangle(1),
        pb.translational_symmetry(a1=False, a2=0.6)
    ],
    'graphene-monolayer-periodic-2d': [
        graphene.monolayer(),
        pb.primitive(a1=5, a2=5),
        pb.translational_symmetry(a1=1, a2=1)
    ],
    'graphene-monolayer-4atom-periodic-2d': [

示例#4

文件： twisted_heterostructures.py 项目： zhuchangyan/pybinding

                 twist_layers(theta=21.798))
plt.figure(figsize=(6.5, 6.5))
model.plot()
plt.title(r"$\theta$ = 21.798 $\degree$")
plt.show()

model = pb.Model(two_graphene_monolayers(), pb.circle(radius=1.5),
                 twist_layers(theta=12.95))
plt.figure(figsize=(6.5, 6.5))
model.plot()
plt.title(r"$\theta$ = 12.95 $\degree$")
plt.show()

shape = pb.circle(radius=2),

model = pb.Model(
    graphene.monolayer_alt(),  # reference stacking is AB (theta=0)
    shape,
    hbn_layer(shape=shape),
    twist_layers(21.787),
)
plt.figure(figsize=(6.8, 7.5))
s = model.system
plt.subplot(2, 2, 1, title="graphene")
s[s.z == 0].plot()
plt.subplot(2, 2, 2, title="hBN")
s[s.z < 0].plot()
plt.subplot(2, 2, (3, 4), title="graphene/hBN")
s.plot()
plt.show()

示例#5

文件： test_system.py 项目： haibiao/pybinding

import pytest

import pybinding as pb
from pybinding.repository import graphene

models = {
    'graphene-monolayer': [graphene.monolayer(), graphene.hexagon_ac(1)],
    'graphene-monolayer-alt': [graphene.monolayer_alt(), pb.rectangle(1.6, 1.4)],
    'graphene-monolayer-4atom': [graphene.monolayer_4atom()],
    'graphene-monolayer-nn': [graphene.monolayer(2), pb.regular_polygon(6, 0.9)],
    'graphene-monolayer-periodic-1d': [graphene.monolayer(), pb.primitive(5, 5),
                                       pb.translational_symmetry(a1=True, a2=False)],
    'graphene-monolayer-periodic-1d-alt': [graphene.monolayer_4atom(), pb.rectangle(1),
                                           pb.translational_symmetry(a1=False, a2=0.6)],
    'graphene-monolayer-periodic-2d': [graphene.monolayer(), pb.primitive(a1=5, a2=5),
                                       pb.translational_symmetry(a1=1, a2=1)],
    'graphene-monolayer-4atom-periodic-2d': [graphene.monolayer_4atom(), pb.rectangle(1),
                                             pb.translational_symmetry(a1=0.6, a2=0.6)],
    'graphene-bilayer': [graphene.bilayer(), graphene.hexagon_ac(0.6)],
}


@pytest.fixture(scope='module', ids=list(models.keys()), params=models.values())
def model(request):
    return pb.Model(*request.param)


def test_api():
    model = pb.Model(graphene.monolayer(), pb.primitive(2, 2))
    system = model.system

示例#6

文件： test_lattice.py 项目： Yukee/pybinding

import pytest

import pybinding as pb
from pybinding.repository import graphene

lattices = {
    'graphene-monolayer': graphene.monolayer(),
    'graphene-monolayer-alt': graphene.monolayer_alt(),
    'graphene-monolayer-4atom': graphene.monolayer_4atom(),
    'graphene-monolayer-nn': graphene.monolayer(2),
    'graphene-bilayer': graphene.bilayer(),
}


@pytest.fixture(scope='module', ids=list(lattices.keys()), params=lattices.values())
def lattice(request):
    return request.param


@pytest.fixture
def mock_lattice():
    a_cc, a, t = 1, 1.73, 1
    lat = pb.Lattice([a, 0], [0.5 * a, 0.866 * a])
    lat.add_sublattices(
        ['a', (0, -a_cc/2)],
        ['b', (0,  a_cc/2)]
    )
    lat.add_hoppings(
        [(0,  0), 'a', 'b', t],
        [(1, -1), 'a', 'b', t],
        [(0, -1), 'a', 'b', t]