From 5d445f475eae50f17e8acc909349ac3bdf912fc8 Mon Sep 17 00:00:00 2001
From: Anton Akhmerov <anton.akhmerov@gmail.com>
Date: Wed, 24 Apr 2013 15:01:05 -0400
Subject: [PATCH] remove an option to pass kwargs to System.Hamiltonian
---
doc/source/images/ab_ring.py.diff | 2 +-
doc/source/images/quantum_well.py.diff | 2 +-
doc/source/tutorial/ab_ring.py | 2 +-
doc/source/tutorial/closed_system.py | 2 +-
doc/source/tutorial/quantum_well.py | 2 +-
doc/source/tutorial/tutorial2.rst | 9 +++----
doc/source/whatsnew/0.3.rst | 33 ++++++++++++++++-------
kwant/_system.pyx | 32 +++++++++++-----------
kwant/builder.py | 12 ++++-----
kwant/physics/dispersion.py | 8 +++---
kwant/physics/tests/test_noise.py | 3 +--
kwant/plotter.py | 8 +++---
kwant/solvers/common.py | 37 +++++++++-----------------
kwant/solvers/tests/_test_sparse.py | 3 +--
kwant/system.py | 26 ++++++++----------
kwant/tests/test_system.py | 2 +-
16 files changed, 87 insertions(+), 96 deletions(-)
diff --git a/doc/source/images/ab_ring.py.diff b/doc/source/images/ab_ring.py.diff
index d954155..d1adc09 100644
--- a/doc/source/images/ab_ring.py.diff
+++ b/doc/source/images/ab_ring.py.diff
@@ -80,7 +80,7 @@
# compute conductance
@@ -87,18 +133,29 @@
- smatrix = kwant.solve(sys, energy, kwargs={'phi': flux})
+ smatrix = kwant.solve(sys, energy, args=[flux])
data.append(smatrix.transmission(1, 0))
- pyplot.figure()
diff --git a/doc/source/images/quantum_well.py.diff b/doc/source/images/quantum_well.py.diff
index 1b62946..7d64ca0 100644
--- a/doc/source/images/quantum_well.py.diff
+++ b/doc/source/images/quantum_well.py.diff
@@ -9,7 +9,7 @@
def make_system(a=1, t=1.0, W=10, L=30, L_well=10):
@@ -52,19 +53,25 @@
- smatrix = kwant.solve(sys, energy, kwargs={'pot': -welldepth})
+ smatrix = kwant.solve(sys, energy, args=[-welldepth])
data.append(smatrix.transmission(1, 0))
- pyplot.figure()
diff --git a/doc/source/tutorial/ab_ring.py b/doc/source/tutorial/ab_ring.py
index 827ae81..1877973 100644
--- a/doc/source/tutorial/ab_ring.py
+++ b/doc/source/tutorial/ab_ring.py
@@ -94,7 +94,7 @@ def plot_conductance(sys, energy, fluxes):
normalized_fluxes = [flux / (2 * pi) for flux in fluxes]
data = []
for flux in fluxes:
- smatrix = kwant.solve(sys, energy, kwargs={'phi': flux})
+ smatrix = kwant.solve(sys, energy, args=[flux])
data.append(smatrix.transmission(1, 0))
pyplot.figure()
diff --git a/doc/source/tutorial/closed_system.py b/doc/source/tutorial/closed_system.py
index 8b46ece..c649c87 100644
--- a/doc/source/tutorial/closed_system.py
+++ b/doc/source/tutorial/closed_system.py
@@ -63,7 +63,7 @@ def plot_spectrum(sys, Bfields):
energies = []
for B in Bfields:
# Obtain the Hamiltonian as a dense matrix
- ham_mat = sys.hamiltonian_submatrix(sparse=True, kwargs={'B': B})
+ ham_mat = sys.hamiltonian_submatrix(sparse=True, args=[B])
# we only calculate the 15 lowest eigenvalues
ev = sla.eigsh(ham_mat, k=15, which='SM', return_eigenvectors=False)
diff --git a/doc/source/tutorial/quantum_well.py b/doc/source/tutorial/quantum_well.py
index 81d0631..a41cbf3 100644
--- a/doc/source/tutorial/quantum_well.py
+++ b/doc/source/tutorial/quantum_well.py
@@ -54,7 +54,7 @@ def plot_conductance(sys, energy, welldepths):
# Compute conductance
data = []
for welldepth in welldepths:
- smatrix = kwant.solve(sys, energy, kwargs={'pot': -welldepth})
+ smatrix = kwant.solve(sys, energy, args=[-welldepth])
data.append(smatrix.transmission(1, 0))
pyplot.figure()
diff --git a/doc/source/tutorial/tutorial2.rst b/doc/source/tutorial/tutorial2.rst
index 094d663..39e473c 100644
--- a/doc/source/tutorial/tutorial2.rst
+++ b/doc/source/tutorial/tutorial2.rst
@@ -179,11 +179,10 @@ Finally, we compute the transmission probability:
:start-after: #HIDDEN_BEGIN_sqvr
:end-before: #HIDDEN_END_sqvr
-``kwant.solve`` allows us to specify a dictionary, `kwargs`, that will be
-passed as additional keyword arguments to the functions that provide the
-Hamiltonian matrix elements. In this example we are able to solve the system
-for different depths of the potential well by passing the keyword argument
-`pot`. We obtain the result:
+``kwant.solve`` allows us to specify a list, `args`, that will be passed as
+additional arguments to the functions that provide the Hamiltonian matrix
+elements. In this example we are able to solve the system for different depths
+of the potential well by passing the potential value. We obtain the result:
.. image:: ../images/quantum_well_result.*
diff --git a/doc/source/whatsnew/0.3.rst b/doc/source/whatsnew/0.3.rst
index dd82bc8..a99b3fc 100644
--- a/doc/source/whatsnew/0.3.rst
+++ b/doc/source/whatsnew/0.3.rst
@@ -75,16 +75,12 @@ regular function parameters (e.g. global variables).
Now the value functions may accept arbitrary arguments after the `Site`
arguments. These extra arguments can be specified when
-`~kwant.solvers.default.solve` is called by setting the keyword arguments:
+`~kwant.solvers.default.solve` is called by setting the arguments:
args
A tuple of values to be passed as the positional arguments to the
Hamiltonian value functions (not including the `Site` arguments).
-kwargs
- A dictionary of keyword-value pairs to be passed as the keyword
- arguments to the Hamiltonian value functions.
-
For example, if the hopping and onsite Hamiltonian value functions have
the following prototype::
@@ -97,11 +93,30 @@ the following prototype::
then the values of `t`, `B` and `pot` for which to solve the system can be
passed to `solve` like this::
- time = 2
- magnetic_field = 3
- potential = 4
kwant.solve(sys, energy,
- args=(time,), kwargs={'B': magnetic_field, 'pot': potential})
+ args=(2., 3., 4.))
+
+A more verbose way to do the same is to pass to the functions an object,
+containing all the parameters as attributes::
+
+ class SimpleNamespace(object):
+ def __init__(self, **kwargs):
+ self.__dict__.update(kwargs)
+ # With Python >= 3.3 we can have instead:
+ # from types import SimpleNamespace
+
+ params = SimpleNamespace()
+
+ def onsite(site, p):
+ mu = p.mu
+ ...
+
+ def hopping(site1, site2, p):
+ t, B = p.t, p.B
+ ...
+
+ kwant.solve(sys, energy,
+ args=(params(t=1., mu=2., B=0.1))
Arguments can be passed in an equivalent way in calls to
`~kwant.solvers.default.wave_function` and `~kwant.solvers.default.ldos`.
diff --git a/kwant/_system.pyx b/kwant/_system.pyx
index 17a1b82..ee263b9 100644
--- a/kwant/_system.pyx
+++ b/kwant/_system.pyx
@@ -20,7 +20,7 @@ msg = 'Hopping from site {0} to site {1} does not match the ' \
'dimensions of onsite Hamiltonians of these sites.'
@cython.boundscheck(False)
-def make_sparse(ham, args, kwargs, CGraph gr, diag,
+def make_sparse(ham, args, CGraph gr, diag,
gint [:] from_sites, n_by_to_site,
gint [:] to_norb, gint [:] to_off,
gint [:] from_norb, gint [:] from_off):
@@ -69,7 +69,7 @@ def make_sparse(ham, args, kwargs, CGraph gr, diag,
if ts not in n_by_to_site:
continue
n_ts = n_by_to_site[ts]
- h = matrix(ham(ts, fs, *args, **kwargs), complex)
+ h = matrix(ham(ts, fs, *args), complex)
if h.shape[0] != to_norb[n_ts] or h.shape[1] != from_norb[n_fs]:
raise ValueError(msg.format(fs, ts))
for i in xrange(h.shape[0]):
@@ -83,7 +83,7 @@ def make_sparse(ham, args, kwargs, CGraph gr, diag,
@cython.boundscheck(False)
-def make_sparse_full(ham, args, kwargs, CGraph gr, diag,
+def make_sparse_full(ham, args, CGraph gr, diag,
gint [:] to_norb, gint [:] to_off,
gint [:] from_norb, gint [:] from_off):
"""For internal use by hamiltonian_submatrix."""
@@ -125,7 +125,7 @@ def make_sparse_full(ham, args, kwargs, CGraph gr, diag,
for ts in nbors.data[:nbors.size]:
if ts < fs:
continue
- h = matrix(ham(ts, fs, *args, **kwargs), complex)
+ h = matrix(ham(ts, fs, *args), complex)
if h.shape[0] != to_norb[ts] or h.shape[1] != from_norb[fs]:
raise ValueError(msg.format(fs, ts))
for i in xrange(h.shape[0]):
@@ -140,7 +140,7 @@ def make_sparse_full(ham, args, kwargs, CGraph gr, diag,
@cython.boundscheck(False)
-def make_dense(ham, args, kwargs, CGraph gr, diag,
+def make_dense(ham, args, CGraph gr, diag,
gint [:] from_sites, n_by_to_site,
gint [:] to_norb, gint [:] to_off,
gint [:] from_norb, gint [:] from_off):
@@ -169,7 +169,7 @@ def make_dense(ham, args, kwargs, CGraph gr, diag,
if ts not in n_by_to_site:
continue
n_ts = n_by_to_site[ts]
- h = matrix(ham(ts, fs, *args, **kwargs), complex)
+ h = matrix(ham(ts, fs, *args), complex)
if h.shape[0] != to_norb[n_ts] or h.shape[1] != from_norb[n_fs]:
raise ValueError(msg.format(fs, ts))
h_sub_view[to_off[n_ts] : to_off[n_ts + 1],
@@ -178,7 +178,7 @@ def make_dense(ham, args, kwargs, CGraph gr, diag,
@cython.boundscheck(False)
-def make_dense_full(ham, args, kwargs, CGraph gr, diag,
+def make_dense_full(ham, args, CGraph gr, diag,
gint [:] to_norb, gint [:] to_off,
gint [:] from_norb, gint [:] from_off):
"""For internal use by hamiltonian_submatrix."""
@@ -202,7 +202,7 @@ def make_dense_full(ham, args, kwargs, CGraph gr, diag,
for ts in nbors.data[:nbors.size]:
if ts < fs:
continue
- h = mat = matrix(ham(ts, fs, *args, **kwargs), complex)
+ h = mat = matrix(ham(ts, fs, *args), complex)
h_herm = mat.transpose().conjugate()
if h.shape[0] != to_norb[ts] or h.shape[1] != from_norb[fs]:
raise ValueError(msg.format(fs, ts))
@@ -215,7 +215,7 @@ def make_dense_full(ham, args, kwargs, CGraph gr, diag,
def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
sparse=False, return_norb=False,
- args=(), kwargs={}):
+ args=()):
"""Return a submatrix of the system Hamiltonian.
Parameters
@@ -228,8 +228,6 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
Whether to return arrays of numbers of orbitals. Defaults to `False`.
args : tuple, defaults to empty
Positional arguments to pass to the ``hamiltonian`` method.
- kwargs : dictionary, defaults to empty
- Keyword arguments to pass to the ``hamiltonian`` method.
Returns
-------
@@ -260,7 +258,7 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
diag = n * [None]
from_norb = np.empty(n, gint_dtype)
for site in xrange(n):
- diag[site] = h = matrix(ham(site, site, *args, **kwargs), complex)
+ diag[site] = h = matrix(ham(site, site, *args), complex)
from_norb[site] = h.shape[0]
else:
diag = len(from_sites) * [None]
@@ -268,7 +266,7 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
for n_site, site in enumerate(from_sites):
if site < 0 or site >= n:
raise IndexError('Site number out of range.')
- diag[n_site] = h = matrix(ham(site, site, *args, **kwargs),
+ diag[n_site] = h = matrix(ham(site, site, *args),
complex)
from_norb[n_site] = h.shape[0]
from_off = np.empty(from_norb.shape[0] + 1, gint_dtype)
@@ -282,14 +280,14 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
if to_sites is None:
to_norb = np.empty(n, gint_dtype)
for site in xrange(n):
- h = matrix(ham(site, site, *args, **kwargs), complex)
+ h = matrix(ham(site, site, *args), complex)
to_norb[site] = h.shape[0]
else:
to_norb = np.empty(len(to_sites), gint_dtype)
for n_site, site in enumerate(to_sites):
if site < 0 or site >= n:
raise IndexError('Site number out of range.')
- h = matrix(ham(site, site, *args, **kwargs), complex)
+ h = matrix(ham(site, site, *args), complex)
to_norb[n_site] = h.shape[0]
to_off = np.empty(to_norb.shape[0] + 1, gint_dtype)
to_off[0] = 0
@@ -298,7 +296,7 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
if to_sites is from_sites is None:
func = make_sparse_full if sparse else make_dense_full
- mat = func(ham, args, kwargs, self.graph, diag, to_norb, to_off,
+ mat = func(ham, args, self.graph, diag, to_norb, to_off,
from_norb, from_off)
else:
if to_sites is None:
@@ -314,6 +312,6 @@ def hamiltonian_submatrix(self, to_sites=None, from_sites=None,
from_sites = np.asarray(from_sites, gint_dtype)
func = make_sparse if sparse else make_dense
- mat = func(ham, args, kwargs, self.graph, diag, from_sites,
+ mat = func(ham, args, self.graph, diag, from_sites,
n_by_to_site, to_norb, to_off, from_norb, from_off)
return (mat, to_norb, from_norb) if return_norb else mat
diff --git a/kwant/builder.py b/kwant/builder.py
index 660ae1d..4c945d9 100644
--- a/kwant/builder.py
+++ b/kwant/builder.py
@@ -1226,12 +1226,12 @@ class FiniteSystem(system.FiniteSystem):
Usable as input for the solvers in `kwant.solvers`.
"""
- def hamiltonian(self, i, j, *args, **kwargs):
+ def hamiltonian(self, i, j, *args):
if i == j:
value = self.onsite_hamiltonians[i]
if hasattr(value, '__call__'):
value = value(self.symmetry.to_fd(self.sites[i]),
- *args, **kwargs)
+ *args)
return value
else:
edge_id = self.graph.first_edge_id(i, j)
@@ -1245,7 +1245,7 @@ class FiniteSystem(system.FiniteSystem):
site_i = self.sites[i]
site_j = self.sites[j]
site_i, site_j = self.symmetry.to_fd(site_i,site_j)
- value = value(site_i, site_j, *args, **kwargs)
+ value = value(site_i, site_j, *args)
if conj:
value = herm_conj(value)
return value
@@ -1259,14 +1259,14 @@ class FiniteSystem(system.FiniteSystem):
class InfiniteSystem(system.InfiniteSystem):
"""Finalized infinite system, extracted from a `Builder`."""
- def hamiltonian(self, i, j, *args, **kwargs):
+ def hamiltonian(self, i, j, *args):
if i == j:
if i >= self.slice_size:
i -= self.slice_size
value = self.onsite_hamiltonians[i]
if hasattr(value, '__call__'):
value = value(self.symmetry.to_fd(self.sites[i]),
- *args, **kwargs)
+ *args)
return value
else:
edge_id = self.graph.first_edge_id(i, j)
@@ -1280,7 +1280,7 @@ class InfiniteSystem(system.InfiniteSystem):
site_i = self.sites[i]
site_j = self.sites[j]
site_i, site_j = self.symmetry.to_fd(site_i, site_j)
- value = value(site_i, site_j, *args, **kwargs)
+ value = value(site_i, site_j, *args)
if conj:
value = herm_conj(value)
return value
diff --git a/kwant/physics/dispersion.py b/kwant/physics/dispersion.py
index 61562a0..a951424 100644
--- a/kwant/physics/dispersion.py
+++ b/kwant/physics/dispersion.py
@@ -22,8 +22,6 @@ class Bands(object):
calculated.
args : tuple, defaults to empty
Positional arguments to pass to the ``hamiltonian`` method.
- kwargs : dictionary, defaults to empty
- Keyword arguments to pass to the ``hamiltonian`` method.
Notes
-----
@@ -41,11 +39,11 @@ class Bands(object):
>>> pyplot.show()
"""
- def __init__(self, sys, args=(), kwargs={}):
- self.ham = sys.slice_hamiltonian(args=args, kwargs=kwargs)
+ def __init__(self, sys, args=()):
+ self.ham = sys.slice_hamiltonian(args=args)
if not np.allclose(self.ham, self.ham.T.conj()):
raise ValueError('The slice Hamiltonian is not Hermitian.')
- hop = sys.inter_slice_hopping(args=args, kwargs=kwargs)
+ hop = sys.inter_slice_hopping(args=args)
self.hop = np.empty(self.ham.shape, dtype=complex)
self.hop[:, : hop.shape[1]] = hop
self.hop[:, hop.shape[1]:] = 0
diff --git a/kwant/physics/tests/test_noise.py b/kwant/physics/tests/test_noise.py
index a8bcb27..bf5f1d5 100644
--- a/kwant/physics/tests/test_noise.py
+++ b/kwant/physics/tests/test_noise.py
@@ -43,9 +43,8 @@ class LeadWithOnlySelfEnergy(object):
def __init__(self, lead):
self.lead = lead
- def self_energy(self, energy, args=(), kwargs={}):
+ def self_energy(self, energy, args=()):
assert args == ()
- assert kwargs == {}
return self.lead.self_energy(energy)
diff --git a/kwant/plotter.py b/kwant/plotter.py
index f8a726c..2b68dc7 100644
--- a/kwant/plotter.py
+++ b/kwant/plotter.py
@@ -861,8 +861,8 @@ def map(sys, value, colorbar=True, cmap=None, vmin=None, vmax=None,
return output_fig(fig, file=file, show=show)
-def bands(sys, momenta=65, args=(), kwargs={},
- file=None, show=True, dpi=None, fig_size=None):
+def bands(sys, momenta=65, args=(), file=None, show=True, dpi=None,
+ fig_size=None):
"""Plot band structure of a translationally invariant 1D system.
Parameters
@@ -871,8 +871,6 @@ def bands(sys, momenta=65, args=(), kwargs={},
A system bands of which are to be plotted.
args : tuple, defaults to empty
Positional arguments to pass to the ``hamiltonian`` method.
- kwargs : dictionary, defaults to empty
- Keyword arguments to pass to the ``hamiltonian`` method.
momenta : int or 1D array-like
Either a number of sampling points on the interval [-pi, pi], or an
array of points at which the band structure has to be evaluated.
@@ -901,7 +899,7 @@ def bands(sys, momenta=65, args=(), kwargs={},
if momenta.ndim != 1:
momenta = np.linspace(-np.pi, np.pi, momenta)
- bands = physics.Bands(sys, args=args, kwargs=kwargs)
+ bands = physics.Bands(sys, args=args)
energies = [bands(k) for k in momenta]
fig = Figure()
diff --git a/kwant/solvers/common.py b/kwant/solvers/common.py
index 1c4d42f..b8d25e9 100644
--- a/kwant/solvers/common.py
+++ b/kwant/solvers/common.py
@@ -93,7 +93,7 @@ class SparseSolver(object):
def _make_linear_sys(self, sys, out_leads, in_leads, energy=0,
force_realspace=False, check_hermiticity=True,
- args=(), kwargs={}):
+ args=()):
"""
Make a sparse linear system of equations defining a scattering
problem.
@@ -117,8 +117,6 @@ class SparseSolver(object):
Check if Hamiltonian matrices are in fact Hermitian.
args : tuple, defaults to empty
Positional arguments to pass to the ``hamiltonian`` method.
- kwargs : dictionary, defaults to empty
- Keyword arguments to pass to the ``hamiltonian`` method.
Returns
-------
@@ -150,7 +148,7 @@ class SparseSolver(object):
raise ValueError('System contains no leads.')
lhs, norb = sys.hamiltonian_submatrix(sparse=True,
return_norb=True,
- args=args, kwargs=kwargs)[:2]
+ args=args)[:2]
lhs = getattr(lhs, 'to' + self.lhsformat)()
lhs = lhs - energy * sp.identity(lhs.shape[0], format=self.lhsformat)
@@ -171,7 +169,7 @@ class SparseSolver(object):
for leadnum, interface in enumerate(sys.lead_interfaces):
lead = sys.leads[leadnum]
if isinstance(lead, system.InfiniteSystem) and not force_realspace:
- h = lead.slice_hamiltonian(args=args, kwargs=kwargs)
+ h = lead.slice_hamiltonian(args=args)
if check_hermiticity:
if not np.allclose(h, h.T.conj(), rtol=1e-13):
@@ -180,7 +178,7 @@ class SparseSolver(object):
raise ValueError(msg.format(leadnum))
h -= energy * np.identity(h.shape[0])
- v = lead.inter_slice_hopping(args=args, kwargs=kwargs)
+ v = lead.inter_slice_hopping(args=args)
modes = physics.modes(h, v)
lead_info.append(modes)
@@ -237,7 +235,7 @@ class SparseSolver(object):
# See comment about zero-shaped sparse matrices at the top.
rhs.append(np.zeros((lhs.shape[1], 0)))
else:
- sigma = lead.self_energy(energy, args, kwargs)
+ sigma = lead.self_energy(energy, args)
lead_info.append(sigma)
indices = np.r_[tuple(slice(offsets[i], offsets[i + 1])
for i in interface)]
@@ -280,7 +278,7 @@ class SparseSolver(object):
def solve(self, sys, energy=0, out_leads=None, in_leads=None,
force_realspace=False, check_hermiticity=True,
- args=(), kwargs={}):
+ args=()):
"""
Compute the scattering matrix or Green's function between leads.
@@ -307,8 +305,6 @@ class SparseSolver(object):
Check if the Hamiltonian matrices are Hermitian.
args : tuple, defaults to empty
Positional arguments to pass to the ``hamiltonian`` method.
- kwargs : dictionary, defaults to empty
- Keyword arguments to pass to the ``hamiltonian`` method.
Returns
-------
@@ -360,8 +356,7 @@ class SparseSolver(object):
linsys, lead_info = self._make_linear_sys(sys, out_leads, in_leads,
energy, force_realspace,
- check_hermiticity,
- args, kwargs)
+ check_hermiticity, args)
# Do not perform factorization if no calculation is to be done.
len_rhs = sum(i.shape[1] for i in linsys.rhs)
@@ -379,7 +374,7 @@ class SparseSolver(object):
return BlockResult(data, lead_info, out_leads, in_leads)
- def ldos(self, fsys, energy=0, args=(), kwargs={}):
+ def ldos(self, fsys, energy=0, args=()):
"""
Calculate the local density of states of a system at a given energy.
@@ -393,9 +388,6 @@ class SparseSolver(object):
args : tuple of arguments, or empty tuple
Positional arguments to pass to the function(s) which
evaluate the hamiltonian matrix elements
- kwargs : dictionary of keyword, argument pairs or empty dictionary
- Optional keyword arguments to pass to the function(s) which
- evaluate the hamiltonian matrix elements
Returns
-------
@@ -410,7 +402,7 @@ class SparseSolver(object):
(h, rhs, kept_vars), lead_info = \
self._make_linear_sys(fsys, [], xrange(len(fsys.leads)), energy,
- args=args, kwargs=kwargs)
+ args=args)
Modes = physics.Modes
num_extra_vars = sum(li.vecs.shape[1] - li.nmodes
@@ -435,7 +427,7 @@ class SparseSolver(object):
return ldos * (0.5 / np.pi)
- def wave_function(self, sys, energy=0, args=(), kwargs={}):
+ def wave_function(self, sys, energy=0, args=()):
"""
Return a callable object for the computation of the wave function
inside the scattering region.
@@ -448,9 +440,6 @@ class SparseSolver(object):
args : tuple of arguments, or empty tuple
Positional arguments to pass to the function(s) which
evaluate the hamiltonian matrix elements
- kwargs : dictionary of keyword, argument pairs or empty dictionary
- Optional keyword arguments to pass to the function(s) which
- evaluate the hamiltonian matrix elements
Notes
-----
@@ -465,11 +454,11 @@ class SparseSolver(object):
>>> wf = kwant.solvers.default.wave_function(some_sys, some_energy)
>>> wfs_of_lead_2 = wf(2)
"""
- return WaveFunction(self, sys, energy, args, kwargs)
+ return WaveFunction(self, sys, energy, args)
class WaveFunction(object):
- def __init__(self, solver, sys, energy=0, args=(), kwargs={}):
+ def __init__(self, solver, sys, energy=0, args=()):
for lead in sys.leads:
if not isinstance(lead, system.InfiniteSystem):
# TODO: fix this
@@ -477,7 +466,7 @@ class WaveFunction(object):
raise ValueError(msg)
(h, self.rhs, kept_vars), lead_info = \
solver._make_linear_sys(sys, [], xrange(len(sys.leads)),
- energy, args=args, kwargs=kwargs)
+ energy, args=args)
Modes = physics.Modes
num_extra_vars = sum(li.vecs.shape[1] - li.nmodes
for li in lead_info if isinstance(li, Modes))
diff --git a/kwant/solvers/tests/_test_sparse.py b/kwant/solvers/tests/_test_sparse.py
index c6b10d8..710dfc3 100644
--- a/kwant/solvers/tests/_test_sparse.py
+++ b/kwant/solvers/tests/_test_sparse.py
@@ -21,9 +21,8 @@ class LeadWithOnlySelfEnergy(object):
def __init__(self, lead):
self.lead = lead
- def self_energy(self, energy, args=(), kwargs={}):
+ def self_energy(self, energy, args=()):
assert args == ()
- assert kwargs == {}
return self.lead.self_energy(energy)
diff --git a/kwant/system.py b/kwant/system.py
index 44d7ad1..1d6fd10 100644
--- a/kwant/system.py
+++ b/kwant/system.py
@@ -35,17 +35,17 @@ class System(object):
"""
__metaclass__ = abc.ABCMeta
- def num_orbitals(self, site, *args, **kwargs):
+ def num_orbitals(self, site, *args):
"""Return the number of orbitals of a site.
This is an inefficient general implementation. It should be
overridden, if a more efficient way to calculate is available.
"""
- ham = self.hamiltonian(site, site, *args, **kwargs)
+ ham = self.hamiltonian(site, site, *args)
return 1 if np.isscalar(ham) else ham.shape[0]
@abc.abstractmethod
- def hamiltonian(self, i, j, *args, **kwargs):
+ def hamiltonian(self, i, j, *args):
"""Return the hamiltonian matrix element for sites `i` and `j`.
If ``i == j``, return the on-site Hamiltonian of site `i`.
@@ -68,8 +68,7 @@ class FiniteSystem(System):
Instance Variables
------------------
leads : sequence of lead objects
- Each lead object has to provide a method
- ``self_energy(energy, args, kwargs)``.
+ Each lead object has to provide a method ``self_energy(energy, args)``.
lead_interfaces : sequence of sequences of integers
Each sub-sequence contains the indices of the system sites to which the
lead is connected.
@@ -133,32 +132,29 @@ class InfiniteSystem(System):
"""
__metaclass__ = abc.ABCMeta
- def slice_hamiltonian(self, sparse=False, args=(), kwargs={}):
+ def slice_hamiltonian(self, sparse=False, args=()):
"""Hamiltonian of a single slice of the infinite system."""
slice_sites = xrange(self.slice_size)
return self.hamiltonian_submatrix(slice_sites, slice_sites,
- sparse=sparse, args=args,
- kwargs=kwargs)
+ sparse=sparse, args=args)
- def inter_slice_hopping(self, sparse=False, args=(), kwargs={}):
+ def inter_slice_hopping(self, sparse=False, args=()):
"""Hopping Hamiltonian between two slices of the infinite system."""
slice_sites = xrange(self.slice_size)
neighbor_sites = xrange(self.slice_size, self.graph.num_nodes)
return self.hamiltonian_submatrix(slice_sites, neighbor_sites,
- sparse=sparse, args=args,
- kwargs=kwargs)
+ sparse=sparse, args=args)
- def self_energy(self, energy, args=(), kwargs={}):
+ def self_energy(self, energy, args=()):
"""Return self-energy of a lead.
The returned matrix has the shape (n, n), where n is
``sum(self.num_orbitals(i) for i in range(self.slice_size))``.
"""
- ham = self.slice_hamiltonian(args=args, kwargs=kwargs)
+ ham = self.slice_hamiltonian(args=args)
shape = ham.shape
assert len(shape) == 2
assert shape[0] == shape[1]
# Subtract energy from the diagonal.
ham.flat[::ham.shape[0] + 1] -= energy
- return physics.self_energy(ham, self.inter_slice_hopping(args=args,
- kwargs=kwargs))
+ return physics.self_energy(ham, self.inter_slice_hopping(args=args))
diff --git a/kwant/tests/test_system.py b/kwant/tests/test_system.py
index 58664bb..72d1caf 100644
--- a/kwant/tests/test_system.py
+++ b/kwant/tests/test_system.py
@@ -77,7 +77,7 @@ def test_hamiltonian_submatrix():
sys[(gr(i) for i in xrange(3))] = onsite
sys[((gr(i), gr(i + 1)) for i in xrange(2))] = hopping
sys2 = sys.finalized()
- mat = sys2.hamiltonian_submatrix(args=(2,), kwargs={'p2': 1})
+ mat = sys2.hamiltonian_submatrix(args=(2, 1))
mat_should_be = [[5, 1, 0], [1, 4, 1.], [0, 1, 3]]
# Sorting is required due to unknown compression order of builder.
--
GitLab