Пример #1
0
from __future__ import print_function

import sys
import os

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 routines for all the geometries
common.initialize(qtwrap)  # do several common initializations


def get_geometry(modify=True):
    """ Create a 0d island"""
    lattice_name = getbox("lattice")  # get the option
    n = int(get("width"))  # thickness of the system
    #  lattice_name = builder.get_object("lattice").get_active_text()
    if lattice_name == "Chain":
        g = geometry.chain()
    if lattice_name == "Honeycomb":
        g = geometry.honeycomb_lattice()
    elif lattice_name == "Square":
        g = geometry.square_lattice()
    elif lattice_name == "Kagome":
        g = geometry.kagome_lattice()
from __future__ import print_function

import sys
import os

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


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)
    print(ns)
    g = specialgeometry.multilayer_graphene(l=ns)
    nsuper = int(get("nsuper"))
    g = g.supercell(nsuper)
Пример #3
0
import sys
import os

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 routines for all the geometries

common.initialize(qtwrap)  # several initilizations


def get_geometry(modify=True):
    """ Create a 0d island"""
    lattice_name = getbox("lattice")  # get the option
    n = int(get("width"))  # thickness of the system
    #  lattice_name = builder.get_object("lattice").get_active_text()
    if lattice_name == "Chain":
        g = geometry.chain()
    if lattice_name == "Honeycomb":
        g = geometry.honeycomb_lattice()
    elif lattice_name == "Square":
        g = geometry.square_lattice()
    elif lattice_name == "Kagome":
        g = geometry.kagome_lattice()
Пример #4
0
    ewin = get("window_ldos")
    nrep = int(get("nsuper_ldos"))
    nk = int(get("nk_ldos"))
    ne = int(get("ne_ldos"))
    delta = get("delta_ldos")
    ldos.multi_ldos(h,
                    es=np.linspace(-ewin, ewin, ne),
                    nk=nk,
                    delta=delta,
                    nrep=nrep)
    execute_script("qh-multildos ")


save_results = lambda x: save_outputs(inipath, tmppath)  # function to save

# create signals
signals = dict()
#signals["initialize"] = initialize  # initialize and run
signals["show_bands"] = show_bands  # show bandstructure
signals["show_structure"] = show_structure  # show bandstructure
signals["show_dos"] = show_dos  # show DOS
signals["show_dosbands"] = show_dosbands  # show DOS
signals["show_interactive_ldos"] = show_interactive_ldos  # show DOS

common.initialize(qtwrap)  # initialize

window.connect_clicks(signals)
folder = create_folder()
tmppath = os.getcwd()  # get the initial directory
window.run()