def _TDS(self, nz, iZs, iZv, opts, v):
pattern = np.vstack([
self.pattern + np.array([self.ax * i, 0, 0])
for i in range(self.Nx)
])
wobbles = self.wobble[np.array(pattern[:, -1], dtype=int)][:, None]
pattern0 = pattern
Na = pattern0.shape[0]
self.patterns = []
for iTDS in range(self.nTDS):
print(colors.yellow + 'configuration %d' % iTDS + colors.black)
pattern[:, :2] = pattern0[:, :2] + (
2 * np.random.rand(Na, 2) - 1) * wobbles #*[self.ax,self.bz]
self.patterns += [pattern.copy()]
p1 = pg.Wallpaper('p1',
self.Nx * self.ax,
self.bz,
90,
pattern,
ndeg=self.nx,
gen=True)
self.pattern = p1.get_potential_grid_p1()
if v:
print(colors.blue + '...integrating projected potential...' +
colors.black)
self._set_transmission_function()
self._set_propagator()
self.set_Psi0(iTDS)
self.propagate(nz, iZs, iZv, opts, iTDS, v)
self.psi_qz = np.abs(self.psi_qz)**2
self.pattern = pattern0
def test_pattern_potential():
pattern = np.array([[0.25, 0.25, 2], [0.5, 0.5, 3]])
crystal = pg.Wallpaper('p2',
a,
pattern=pattern,
gen=True,
ndeg=npts,
nh=1,
nk=1,
pOpt='AVp')
x, f = crystal.get_potential_unit_cell()
plt.close('all')
path = '../../multislice/docs_fig/multi2D/NBkinvsMS'
opts = 'I'
# Problem
keV = 200 # wavelength 200keV
Nx = 10 # Number of transverse unit cells
Nz = 20 #
ndeg = 2**8 # number of pixels
pptype, ax, bz, angle, Za = 'p1', 5, 10, 90, 2
pattern = np.array([[2.5, 5, Za]])
eps = 0.1
opt = 'p'
### Structure definition
p1 = pg.Wallpaper(pptype, ax, bz, angle, pattern, ndeg=ndeg)
potential = p1.get_potential_grid()
### Run multislice
ms0 = ms.Multi2D(potential,
ax,
bz,
keV=keV,
Nx=1,
nz=Nz,
dz=bz,
eps=eps,
iZs=1,
iZv=1)
dq = ms0.q[1] - ms0.q[0]
# Ims = ms0.psi_qz[-1,:].copy()/(ms0.nx**2*ms0.dq**2)
nx = 1
# p1 = pg.Wallpaper(pp_type='p1',a=ax,b=bz,angle=90,pattern=pattern,ndeg=0,nh=nx,nk=1)
# apply_padding(p1,npad=0,nx=nx,name='pad0_nx1',opt='p')
# apply_padding(p1,npad=1,nx=nx,name='pad1_nx1',opt='p')
# apply_padding(p1,npad=2,nx=nx,name='pad2_nx1',opt='p')
# apply_padding(p1,npad=5,nx=nx,name='pad3_nx1',opt='p')
# nx=2
# p1 = pg.Wallpaper(pp_type='p1',a=ax,b=bz,angle=90,pattern=pattern,ndeg=0,nh=2,nk=1)
# apply_padding(p1,npad=0 ,nx=nx,name='pad0_nx2',opt='sp')
# apply_padding(p1,npad=5 ,nx=nx,name='pad1_nx2',opt='sp')
# apply_padding(p1,npad=10,nx=nx,name='pad2_nx2',opt='sp')
# apply_padding(p1,npad=20,nx=nx,name='pad3_nx2',opt='sp')
npad = 20
# p1a = pg.Wallpaper(pp_type='p1',a=ax,b=bz,angle=90,pattern=pattern,ndeg=0,nh=1,nk=1)
# p1b = pg.Wallpaper(pp_type='p1',a=ax,b=bz,angle=90,pattern=pattern,ndeg=0,nh=2,nk=1)
# p1c = pg.Wallpaper(pp_type='p1',a=ax,b=bz,angle=90,pattern=pattern,ndeg=0,nh=5,nk=1)
p1d = pg.Wallpaper(pp_type='p1',
a=ax,
b=bz,
angle=90,
pattern=pattern,
ndeg=0,
nh=10,
nk=1)
# msa = apply_padding(p1a,npad=npad,nx=1 ,name='padnx1',opt='p')
# msb = apply_padding(p1b,npad=npad,nx=2 ,name='padnx2',opt='p')
# msc = apply_padding(p1c,npad=npad,nx=5 ,name='padnx3',opt='p')
msd = apply_padding(p1d, npad=npad, nx=10, name='padnx4', opt='p')
mp.Za_show()
mp.Qz_show(iZs=[-1], title='with TDS', xylims=['x', -2, 2])
# mp.Bz_show(iBs=np.arange(0,4),sym_opt=1,lw=2)
if '0' in opts:
# mp = MS2D.Multi2D(pattern,ax,bz,keV=keV,
# Nx=Nx,dz=2,nz=10,eps=0.25,nx=ndeg,
# TDS=True,nTDS=1,wobble=np.array([0.002,0.025,0.025,0.025,0.05])*0, #[0.01,1:0.025,2:0.025,4:0.05},
# ppopt='',opts='q',v=1)
p1 = pg.Wallpaper('p1',
ax,
bz,
90,
pattern,
ndeg=ndeg,
gen=True,
nh=3,
nk=3)
# p1.plot_unit_cells(opts='AV',nh=2,nk=2)
potential = p1.get_potential_grid_p1()
#
# # Loop over 1 unit cell periodic
mp = MS2D.Multi2D(potential,
ax,
bz,
keV=keV,
Nx=Nx,
dz=2,
nz=10,