import os
qhroot = os.path.dirname(os.path.realpath(__file__)) + "/../../"
sys.path.append(qhroot + "/pysrc/") # python libraries
from interfacetk import qtwrap # import the library with simple wrappaers to qt4
getbox = qtwrap.getbox # get the value of a certain variable
window = qtwrap.main() # this is the main interface
get = window.get # get the value of a certain variable
from interfacetk.qh_interface import * # import all the libraries needed
from interfacetk import common # common routines for all the geometries
common.initialize(qtwrap) # do several common initializations
qtwrap.set_combobox("scf_initialization", meanfield.spinful_guesses)
qtwrap.set_combobox("bands_color", operators.operator_list)
def get_geometry(modify=True):
""" Create a 0d island"""
lattice_name = getbox("lattice") # get the option
if lattice_name == "Honeycomb":
geometry_builder = geometry.honeycomb_lattice
elif lattice_name == "Honeycomb 4 sites":
geometry_builder = geometry.honeycomb_lattice_square_cell
elif lattice_name == "Square":
geometry_builder = geometry.square_lattice
elif lattice_name == "Single square":
geometry_builder = geometry.single_square_lattice
elif lattice_name == "Kagome":
is_checked = qtwrap.is_checked # get the value of a certain variable
window = qtwrap.main() # this is the main interface
from interfacetk.qh_interface import * # import all the libraries needed
from interfacetk import common # common routines for all the geometries
common.initialize(qtwrap) # do several common initializations
from pygra import parallel
from interfacetk import interfacetk
modify_geometry = lambda x: interfacetk.modify_geometry(x, qtwrap)
qtwrap.set_combobox("multilayer_type",
cs=[
"Twisted bilayer", "Aligned bilayer AA",
"Aligned bilayer AB", "Aligned trilayer ABC",
"Twisted trilayer 010", "Twisted trilayer 001",
"Twisted bi-bilayer AB AB", "Twisted bi-bilayer AB BA",
"Twisted bi-trilayer ABC"
])
def get_geometry(modify=True):
""" Create a 2d honeycomb lattice"""
n = int(qtwrap.get("cell_size")) # size of the unit cell
name = qtwrap.getbox("multilayer_type")
if name == "Twisted bilayer":
g = specialgeometry.twisted_bilayer(n)
elif name == "Aligned bilayer AA":
g = specialgeometry.twisted_multilayer(n, rot=[0, 0])
elif name == "Aligned bilayer AB":
gb = specialgeometry.multilayer_graphene(l=[0, 1])
qhroot = os.environ["QHROOT"] # root path
sys.path.append(qhroot + "/pysrc/") # python libraries
from interfacetk import qtwrap # import the library with simple wrappaers to qt4
get = qtwrap.get # get the value of a certain variable
getbox = qtwrap.getbox # get the value of a certain variable
window = qtwrap.main() # this is the main interface
from interfacetk.qh_interface import * # import all the libraries needed
from interfacetk import common
common.initialize(qtwrap) # initilizations
# set the different possible multilayers
cs = specialgeometry.multilayer_codes(n=4)
qtwrap.set_combobox("lattice", cs=cs)
def get_geometry(modify=True):
""" Create a 0d island"""
lattice = getbox("lattice") # get the option
ns = [] # empt list
for il in lattice:
if il == "A": ns += [-1]
elif il == "B": ns += [0]
elif il == "C": ns += [1]
else: print("Error", il)
g = specialgeometry.multilayer_graphene(l=ns)
nsuper = int(get("nsuper"))
g = g.supercell(nsuper)
if modify: g = modify_geometry(g) # modify the geometry