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« on: August 12, 2014, 19:41 »
Good day, I'm still trying to do the Gaussian structure of graphene, I started doing this:
import numpy as np
def makeGaussian(size, fwhm = 3, center=None):
""" Make a square gaussian kernel.
size is the length of a side of the square
fwhm is full-width-half-maximum, which
can be thought of as an effective radius.
"""
x = np.arange(0, size, 1, float)
y = x[:,np.newaxis]
if center is None:
x0 = y0 = size // 2
else:
x0 = center[0]
y0 = center[1]
return np.exp(-4*np.log(2) * ((x-x0)**2 + (y-y0)**2) / fwhm**2)
# find width of gaussian
configuration = NanoSheet(n,m)
lattice = configuration.bravaisLattice()
# now extract the information about the configuration
lattice = configuration.bravaisLattice()
elements = configuration.elements()
cartesian_coordinates=configuration.cartesianCoordinates().inUnitsOf(Angstrom)
# gaussian parameters group
builder.newGroup('gaussian parameters')
builder.integer( 'n', 8, 'n', min=1, max=1000)
builder.integer( 'm', 0, 'm', min=0, max=1000)
to run it does not work, would appreciate if you can guide me or tell me the correct way you can get me.
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