Changelog

v0.8.2 | 2017-01-26

  • Added support for Python 3.6 (pybinding is available as a binary wheel for Windows and macOS).
  • Fixed compatibility with matplotlib v2.0.
  • Fixed a few minor bugs.

v0.8.1 | 2016-11-11

  • Structure plotting functions have been improved with better automatic scaling of lattice site circle sizes and hopping line widths.
  • Fixed Brillouin zone calculation for cases where the angle between lattice vectors is obtuse (#1). Thanks to @obgeneralao (Oliver B Generalao) for reporting the issue.
  • Fixed a flaw in the example of a phosphorene lattice (there were extraneous t5 hoppings). Thanks to Longlong Li for pointing this out.
  • Fixed missing CUDA source files in PyPI sdist package.
  • Revised advanced installation instructions: compiling from source code and development.

v0.8.0 | 2016-07-01

New features

  • Added support for scattering models. Semi-infinite leads can be attached to a finite-sized scattering region. Take a look at the documentation, specifically section 10 of the “Basic Tutorial”, for details on how to construct such models.
  • Added compatibility with Kwant for transport calculations. A model can be constructed in Pybinding and then exported using the Model.tokwant() method. This makes it possible to use Kwant’s excellent solver for transport problems. While Kwant does have its own model builder, Pybinding is much faster in this regard: by two orders of magnitude, see the “Benchmarks” page in the documentation for a performance comparison.
  • Experimental: Initial CUDA implementation of KPM Green’s function (only for diagonal elements for now). See the “Experimental Features” section of the documentation.

Improvements

  • The performance of the KPM Green’s function implementation has been improved significantly: by a factor of 2.5x. The speedup was achieved with CPU code using portable SIMD intrinsics thanks to libsimdpp.
  • The Green’s function can now be computed for multiple indices simultaneously.
  • The spatial origin of a lattice can be adjusted using the Lattice.offset attribute. See the “Advanced Topics” section.

Breaking changes

  • The interface for structure plotting (as used in System.plot() and StructureMap) has been greatly improved. Some of the changes are not backwards compatible and may require some minor code changes after upgrading. See the “Plotting Guide” section of the documentation for details.
  • The interfaces for the Bands and StructureMap result objects have been revised. Specifically, structure maps are now more consistent with ndarrays, so the old smap.filter(smap.x > 0) is replaced by smap2 = smap[smap.x > 0]. The “Plotting Guide” has a few examples and there is a full method listing in the “API Reference” section.

Documentation

  • The API reference has been completely revised and now includes a summary on the main page.
  • A few advanced topics are now covered, including some aspects of plotting. A few more random examples have also been added.
  • Experimental features are now documented.

Bug fixes

  • Fixed translational symmetry skipping directions for some 2D systems.
  • Fixed computation of off-diagonal Green’s function elements with opt_level > 0
  • Fixed some issues with shapes which were not centered at (x, y) = (0, 0).

v0.7.2 | 2016-03-14

  • Lots of improvements to the documentation. The tutorial pages can now be downloaded and run interactively as Jupyter notebooks. The entire user guide is also available as a PDF file.
  • The sub_id and hop_id modifier arguments can now be compared directly with their friendly string names. For example, this makes it possible to write sub_id == 'A' instead of the old sub_id == lattice['A'] and hop_id == 'gamma1' instead of hop_id == lattice('gamma1').
  • The site state modifier can automatically remove dangling sites which have less than a certain number of neighbors (set using the min_neighbors decorator argument).
  • Added optional sites argument for state, position, and onsite energy modifiers. It can be used instead of the x, y, z, sub_id arguments and contains a few helper methods. See the modifier API reference for more information.
  • Fixed a bug where using a single KPM object for multiple calculations could return wrong results.
  • Experimental hopping_generator which can be used to add a new hopping family connecting arbitrary sites independent of the main Lattice definition. This is useful for creating additional local hoppings, e.g. to model defects.

v0.7.1 | 2016-02-08

  • Added support for double-precision floating point. Single precision is used by default, but it will be switched automatically to double if required by an onsite or hopping modifier.

  • Added support for the 32-bit version of Python

  • Tests are now included in the installed package. They can be run with:

    import pybinding as pb
    pb.tests()
    
  • Available as a binary wheel for 32-bit and 64-bit Windows (Python 3.5 only) and OS X (Python 3.4 and 3.5)

v0.7.0 | 2016-02-01

Initial release