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Joseph Weston
kwant
Commits
843ee6d2
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843ee6d2
authored
5 years ago
by
Joseph Weston
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explicitly set the random number generator in KPM tutorial
Closes #279.
parent
dadd7489
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Pipeline
#18409
passed with warnings
5 years ago
Stage: build
Stage: test
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doc/source/code/figure/kernel_polynomial_method.py.diff
+20
-15
20 additions, 15 deletions
doc/source/code/figure/kernel_polynomial_method.py.diff
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20 additions
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15 deletions
doc/source/code/figure/kernel_polynomial_method.py.diff
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843ee6d2
@@ -1,
219
+1,
242
@@
@@ -1,
341
+1,
367
@@
# Tutorial 2.8. Calculating spectral density with the Kernel Polynomial Method
# Tutorial 2.8. Calculating spectral density with the Kernel Polynomial Method
# ============================================================================
# ============================================================================
#
#
...
@@ -135,7 +135,7 @@
...
@@ -135,7 +135,7 @@
#HIDDEN_BEGIN_kpm1
#HIDDEN_BEGIN_kpm1
fsyst = make_syst().finalized()
fsyst = make_syst().finalized()
spectrum = kwant.kpm.SpectralDensity(fsyst)
spectrum = kwant.kpm.SpectralDensity(fsyst
, rng=0
)
#HIDDEN_END_kpm1
#HIDDEN_END_kpm1
#HIDDEN_BEGIN_kpm2
#HIDDEN_BEGIN_kpm2
...
@@ -157,7 +157,7 @@
...
@@ -157,7 +157,7 @@
def dos_integrating_example(fsyst):
def dos_integrating_example(fsyst):
spectrum = kwant.kpm.SpectralDensity(fsyst)
spectrum = kwant.kpm.SpectralDensity(fsyst
, rng=0
)
#HIDDEN_BEGIN_int1
#HIDDEN_BEGIN_int1
- print('identity resolution:', spectrum.integrate())
- print('identity resolution:', spectrum.integrate())
...
@@ -178,7 +178,7 @@
...
@@ -178,7 +178,7 @@
def increasing_accuracy_example(fsyst):
def increasing_accuracy_example(fsyst):
spectrum = kwant.kpm.SpectralDensity(fsyst)
spectrum = kwant.kpm.SpectralDensity(fsyst
, rng=0
)
original_dos = spectrum() # get unaltered DoS
original_dos = spectrum() # get unaltered DoS
#HIDDEN_BEGIN_acc1
#HIDDEN_BEGIN_acc1
...
@@ -215,13 +215,13 @@
...
@@ -215,13 +215,13 @@
#HIDDEN_BEGIN_op1
#HIDDEN_BEGIN_op1
# identity matrix
# identity matrix
matrix_op = scipy.sparse.eye(len(fsyst.sites))
matrix_op = scipy.sparse.eye(len(fsyst.sites))
matrix_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=matrix_op)
matrix_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=matrix_op
, rng=0
)
#HIDDEN_END_op1
#HIDDEN_END_op1
#HIDDEN_BEGIN_op2
#HIDDEN_BEGIN_op2
# 'sum=True' means we sum over all the sites
# 'sum=True' means we sum over all the sites
kwant_op = kwant.operator.Density(fsyst, sum=True)
kwant_op = kwant.operator.Density(fsyst, sum=True)
operator_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=kwant_op)
operator_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=kwant_op
, rng=0
)
#HIDDEN_END_op2
#HIDDEN_END_op2
plot_dos([
plot_dos([
...
@@ -234,7 +234,7 @@
...
@@ -234,7 +234,7 @@
#HIDDEN_BEGIN_op3
#HIDDEN_BEGIN_op3
# 'sum=False' is the default, but we include it explicitly here for clarity.
# 'sum=False' is the default, but we include it explicitly here for clarity.
kwant_op = kwant.operator.Density(fsyst, sum=False)
kwant_op = kwant.operator.Density(fsyst, sum=False)
local_dos = kwant.kpm.SpectralDensity(fsyst, operator=kwant_op)
local_dos = kwant.kpm.SpectralDensity(fsyst, operator=kwant_op
, rng=0
)
#HIDDEN_END_op3
#HIDDEN_END_op3
#HIDDEN_BEGIN_op4
#HIDDEN_BEGIN_op4
...
@@ -264,7 +264,8 @@
...
@@ -264,7 +264,8 @@
# 'num_vectors' can be unspecified when using 'LocalVectors'
# 'num_vectors' can be unspecified when using 'LocalVectors'
local_dos = kwant.kpm.SpectralDensity(fsyst, num_vectors=None,
local_dos = kwant.kpm.SpectralDensity(fsyst, num_vectors=None,
vector_factory=vector_factory,
vector_factory=vector_factory,
mean=False)
mean=False,
rng=0)
energies, densities = local_dos()
energies, densities = local_dos()
plot_dos([
plot_dos([
('A sublattice', (energies, densities[:, 0])),
('A sublattice', (energies, densities[:, 0])),
...
@@ -277,7 +278,7 @@
...
@@ -277,7 +278,7 @@
def vector_factory_example(fsyst):
def vector_factory_example(fsyst):
spectrum = kwant.kpm.SpectralDensity(fsyst)
spectrum = kwant.kpm.SpectralDensity(fsyst
, rng=0
)
#HIDDEN_BEGIN_fact1
#HIDDEN_BEGIN_fact1
# construct a generator of vectors with n random elements -1 or +1.
# construct a generator of vectors with n random elements -1 or +1.
n = fsyst.hamiltonian_submatrix(sparse=True).shape[0]
n = fsyst.hamiltonian_submatrix(sparse=True).shape[0]
...
@@ -286,7 +287,8 @@
...
@@ -286,7 +287,8 @@
yield np.rint(np.random.random_sample(n)) * 2 - 1
yield np.rint(np.random.random_sample(n)) * 2 - 1
custom_factory = kwant.kpm.SpectralDensity(fsyst,
custom_factory = kwant.kpm.SpectralDensity(fsyst,
vector_factory=binary_vectors())
vector_factory=binary_vectors(),
rng=0)
#HIDDEN_END_fact1
#HIDDEN_END_fact1
plot_dos([
plot_dos([
('default vector factory', spectrum()),
('default vector factory', spectrum()),
...
@@ -302,8 +304,8 @@
...
@@ -302,8 +304,8 @@
def rho_alt(bra, ket):
def rho_alt(bra, ket):
return np.vdot(bra, ket)
return np.vdot(bra, ket)
rho_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=rho)
rho_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=rho
, rng=0
)
rho_alt_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=rho_alt)
rho_alt_spectrum = kwant.kpm.SpectralDensity(fsyst, operator=rho_alt
, rng=0
)
#HIDDEN_END_blm
#HIDDEN_END_blm
plot_dos([
plot_dos([
...
@@ -321,11 +323,13 @@
...
@@ -321,11 +323,13 @@
# component 'xx'
# component 'xx'
s_factory = kwant.kpm.LocalVectors(fsyst, where)
s_factory = kwant.kpm.LocalVectors(fsyst, where)
cond_xx = kwant.kpm.conductivity(fsyst, alpha='x', beta='x', mean=True,
cond_xx = kwant.kpm.conductivity(fsyst, alpha='x', beta='x', mean=True,
num_vectors=None, vector_factory=s_factory)
num_vectors=None, vector_factory=s_factory,
rng=0)
# component 'xy'
# component 'xy'
s_factory = kwant.kpm.LocalVectors(fsyst, where)
s_factory = kwant.kpm.LocalVectors(fsyst, where)
cond_xy = kwant.kpm.conductivity(fsyst, alpha='x', beta='y', mean=True,
cond_xy = kwant.kpm.conductivity(fsyst, alpha='x', beta='y', mean=True,
num_vectors=None, vector_factory=s_factory)
num_vectors=None, vector_factory=s_factory,
rng=0)
energies = cond_xx.energies
energies = cond_xx.energies
cond_array_xx = np.array([cond_xx(e, temperature=0.01) for e in energies])
cond_array_xx = np.array([cond_xx(e, temperature=0.01) for e in energies])
...
@@ -339,7 +343,8 @@
...
@@ -339,7 +343,8 @@
# ldos
# ldos
s_factory = kwant.kpm.LocalVectors(fsyst, where)
s_factory = kwant.kpm.LocalVectors(fsyst, where)
spectrum = kwant.kpm.SpectralDensity(fsyst, num_vectors=None,
spectrum = kwant.kpm.SpectralDensity(fsyst, num_vectors=None,
vector_factory=s_factory)
vector_factory=s_factory,
rng=0)
plot_dos_and_curves(
plot_dos_and_curves(
(spectrum.energies, spectrum.densities * 8),
(spectrum.energies, spectrum.densities * 8),
...
...
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