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Package for tight-binding calculations

Project description

Documentation: http://pybinding.site/

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.

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