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Joseph Weston
kwant
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6be2107a
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6be2107a
authored
6 years ago
by
Christoph Groth
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rearrange 1.4 whatsnew to emphasize backwards-incompatible changes
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6d31458d
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doc/source/pre/whatsnew/1.4.rst
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62 additions, 56 deletions
doc/source/pre/whatsnew/1.4.rst
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doc/source/pre/whatsnew/1.4.rst
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6be2107a
...
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@@ -16,6 +16,46 @@ reason, value functions may no longer accept ``*args`` or ``**kwargs``.
If you are using such functions, we recommend that you replace them by named
parameters.
Value functions may no longer have default values for parameters
----------------------------------------------------------------
Using value functions with default values for parameters can be
problematic, especially when re-using value functions between simulations.
When parameters have default values it is easy to forget that such a
parameter exists at all, because it is not necessary to provide them explicitly
to functions that use the Kwant system. This means that other value functions
might be introduced that also depend on the same parameter,
but in an inconsistent way (e.g. a parameter 'phi' that is a superconducting
phase in one value function, but a peierls phase in another). This leads
to bugs that are confusing and hard to track down.
For this reason value functions may no longer have default values for paramters.
Concretely this means that the following no longer works::
syst = kwant.Builder()
# Parameter 't' has a default value of 1
def onsite(site, V, t=1):
return V = 2 * t
def hopping(site_a, site_b, t=1):
return -t
syst[...] = onsite
syst[...] = hopping
# Raises ValueError
syst = syst.finalized()
As a solution, simply remove the default values and always provide ``t``.
To deal with many parameters, the following idiom may be useful::
defaults = dict(a=0, b=1, c=2, d=3)
...
smatrix = kwant.smatrix(syst, E, params=dict(defaults, d=4, e=5))
Note that this allows to override defaults as well as to add additional
parameters.
Installation on Microsoft Windows is available via Conda
--------------------------------------------------------
Kwant is now packaged for the Conda package manager on Windows, and using
...
...
@@ -155,55 +195,6 @@ the scattering region and leads, one could do the following::
kwant.smatrix(syst, params=dict(V_dot=0, V_lead=1))
Interpolated density plots
--------------------------
A new function, `kwant.plotter.density`, has been added that can be used to
visualize a density defined over the sites of a Kwant system. This convolves
the "discrete" density (defined over the system sites) with a "bump" function
in realspace. The output of `~kwant.plotter.density` can be more informative
that `~kwant.plotter.map` when plotting systems with many sites, where it is
not important to see the individual contribution from each site.
Value functions may no longer have default values for parameters
----------------------------------------------------------------
Using value functions with default values for parameters can be
problematic, especially when re-using value functions between simulations.
When parameters have default values it is easy to forget that such a
parameter exists at all, because it is not necessary to provide them explicitly
to functions that use the Kwant system. This means that other value functions
might be introduced that also depend on the same parameter,
but in an inconsistent way (e.g. a parameter 'phi' that is a superconducting
phase in one value function, but a peierls phase in another). This leads
to bugs that are confusing and hard to track down.
For this reason value functions may no longer have default values for paramters.
Concretely this means that the following no longer works::
syst = kwant.Builder()
# Parameter 't' has a default value of 1
def onsite(site, V, t=1):
return V = 2 * t
def hopping(site_a, site_b, t=1):
return -t
syst[...] = onsite
syst[...] = hopping
# Raises ValueError
syst = syst.finalized()
As a solution, simply remove the default values and always provide ``t``.
To deal with many parameters, the following idiom may be useful::
defaults = dict(a=0, b=1, c=2, d=3)
...
smatrix = kwant.smatrix(syst, E, params=dict(defaults, d=4, e=5))
Note that this allows to override defaults as well as to add additional
parameters.
System parameters can now be inspected
--------------------------------------
In modern Kwant the preferred way to pass arguments to your models
...
...
@@ -265,13 +256,6 @@ the information of which sites were added was not inspectable after finalization
Now the sites that were added from each lead are available in the ``lead_paddings``
attribute. See the documentation for `~kwant.builder.FiniteSystem` for details.
Configurable maximum velocity in stream plots
---------------------------------------------
The function `~kwant.plotter.streamplot` has got a new option ``vmax``. Note
that this option is not available in `~kwant.plotter.current`. In order to use
it, one has to call ``streamplot`` directly as shown in the docstring of
``current``.
`kwant.continuum.discretize` can be used with rectangular lattices
------------------------------------------------------------------
Previously the discretizer could only be used with lattices with the same
...
...
@@ -286,6 +270,22 @@ lattices to the discretizer::
This is useful when you need a finer discretization step in some spatial
directions, and a coarser one in others.
Interpolated density plots
--------------------------
A new function, `kwant.plotter.density`, has been added that can be used to
visualize a density defined over the sites of a Kwant system. This convolves
the "discrete" density (defined over the system sites) with a "bump" function
in realspace. The output of `~kwant.plotter.density` can be more informative
that `~kwant.plotter.map` when plotting systems with many sites, where it is
not important to see the individual contribution from each site.
Configurable maximum velocity in stream plots
---------------------------------------------
The function `~kwant.plotter.streamplot` has got a new option ``vmax``. Note
that this option is not available in `~kwant.plotter.current`. In order to use
it, one has to call ``streamplot`` directly as shown in the docstring of
``current``.
Improved heuristic for colorscale limits in `kwant.plotter.map`
---------------------------------------------------------------
Previously `~kwant.plotter.map` would set the limits for the color scale
...
...
@@ -303,3 +303,9 @@ Previously `kwant.plotter.plot` would plot all sites in black. Now sites from
different families are plotted in different colors, which improves the
default plotting style. You can still customize the site coloring using
the ``site_color`` parameter, as before.
Changes in Kwant 1.4.1
----------------------
- The list of user-visible changes was rearranged to emphasize
backwards-incompatible changes by moving them to the top of the list and
adding the entry `Value functions may no longer take unnamed arguments`_.
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