From f3401ec2aa201b2810e137c62920704c0bb0b7e6 Mon Sep 17 00:00:00 2001
From: Joseph Weston <joseph@weston.cloud>
Date: Fri, 15 Feb 2019 15:51:34 +0100
Subject: [PATCH] rename 'temp' to 'temperature' in the new kwant.kpm APIs
'temp' is too short a parameter name, especially for an API,
and could be confused with 'temporary'.
---
.../figure/kernel_polynomial_method.py.diff | 4 ++--
doc/source/pre/whatsnew/1.4.rst | 3 ++-
kwant/kpm.py | 24 +++++++++----------
3 files changed, 16 insertions(+), 15 deletions(-)
diff --git a/doc/source/code/figure/kernel_polynomial_method.py.diff b/doc/source/code/figure/kernel_polynomial_method.py.diff
index b12ebf52..754b56ba 100644
--- a/doc/source/code/figure/kernel_polynomial_method.py.diff
+++ b/doc/source/code/figure/kernel_polynomial_method.py.diff
@@ -328,8 +328,8 @@
num_vectors=None, vector_factory=s_factory)
energies = cond_xx.energies
- cond_array_xx = np.array([cond_xx(e, temp=0.01) for e in energies])
- cond_array_xy = np.array([cond_xy(e, temp=0.01) for e in energies])
+ cond_array_xx = np.array([cond_xx(e, temperature=0.01) for e in energies])
+ cond_array_xy = np.array([cond_xy(e, temperature=0.01) for e in energies])
# area of the unit cell per site
area_per_site = np.abs(np.cross(*lat.prim_vecs)) / len(lat.sublattices)
diff --git a/doc/source/pre/whatsnew/1.4.rst b/doc/source/pre/whatsnew/1.4.rst
index adae7184..fe25a05e 100644
--- a/doc/source/pre/whatsnew/1.4.rst
+++ b/doc/source/pre/whatsnew/1.4.rst
@@ -38,7 +38,8 @@ potentials at finite temperature::
syst = make_system().finalized()
sigma_xy = kwant.kpm.conductivity(syst, alpha='x', beta='y')
- conductivities = [sigma_xy(mu=mu, temp=0.1) for mu in np.linspace(0, 4)]
+ conductivities = [sigma_xy(mu=mu, temperature=0.1)
+ for mu in np.linspace(0, 4)]
`kwant.physics.Bands` can optionally return eigenvectors and velocities
-----------------------------------------------------------------------
diff --git a/kwant/kpm.py b/kwant/kpm.py
index 93e395ad..8cf8db4d 100644
--- a/kwant/kpm.py
+++ b/kwant/kpm.py
@@ -592,7 +592,7 @@ class Correlator:
self._calculate_moments_matrix()
self._build_integral_factor()
- def __call__(self, mu=0, temp=0):
+ def __call__(self, mu=0, temperature=0):
"""Returns the linear response χ_{α β}(µ, T)
Parameters
@@ -600,7 +600,7 @@ class Correlator:
mu : float
Chemical potential defined in the same units of energy as
the Hamiltonian.
- temp : float
+ temperature : float
Temperature in units of energy, the same as defined in the
Hamiltonian.
"""
@@ -608,7 +608,7 @@ class Correlator:
e_rescaled = (e - self._b) / self._a
# rescale the energy to compare with the chemical potential
- distribution_array = fermi_distribution(e, mu, temp)
+ distribution_array = fermi_distribution(e, mu, temperature)
integrand = np.divide(distribution_array, (1 - e_rescaled ** 2) ** 2)
integrand = np.multiply(integrand, self._integral_factor)
integral = simps(integrand, x=e_rescaled)
@@ -812,7 +812,7 @@ def conductivity(hamiltonian, alpha='x', beta='x', positions=None, **kwargs):
conductivity at chemical potential 0 and temperature 0.01.
>>> cond = kwant.kpm.conductivity(fsyst, alpha='x', beta='y')
- >>> cond(mu=0, temp=0.01)
+ >>> cond(mu=0, temperature=0.01)
"""
if positions is None and not isinstance(hamiltonian, system.System):
@@ -967,26 +967,26 @@ class LocalVectors:
# ### Auxiliary functions
-def fermi_distribution(e, mu, temp):
+def fermi_distribution(energy, mu, temperature):
"""Returns the Fermi distribution f(e, µ, T) evaluated at 'e'.
Parameters
----------
- e : float or sequence of floats
+ energy : float or sequence of floats
Energy array where the Fermi distribution is evaluated.
mu : float
Chemical potential defined in the same units of energy as
the Hamiltonian.
- temp : float
+ temperature : float
Temperature in units of energy, the same as defined in the
Hamiltonian.
"""
- if temp < 0:
- raise ValueError("'temp' must be non-negative")
- elif temp == 0:
- return np.array(np.less(e - mu, 0), dtype=float)
+ if temperature < 0:
+ raise ValueError("temperature must be non-negative")
+ elif temperature == 0:
+ return np.array(np.less(energy - mu, 0), dtype=float)
else:
- return 1 / (1 + np.exp((e - mu) / temp))
+ return 1 / (1 + np.exp((energy - mu) / temperature))
def _from_where_to_orbs(syst, where):
"""Returns a list of slices of the orbitals in 'where'"""
--
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