What’s New

0.7.7 - 2022-02-11

New Features

  • add additional spatial methods to lattice object

  • reuse coordinate system argument used for building lattice in other Lattice-methods

Improvements/Bug Fixes

  • remove deprecated set_num_neighbors method

  • remove deprecated fill method from DataMap

  • remove deprecated get_neighbor_pos method from LatticeData

0.7.6 - 2022-12-06

New Features

  • add method for getting limits of unit cells to LatticeData object

  • add conversion methods between cell index and super index for regular shapes to LatticeBasis

  • add hypercubic constructor to LatticeBasis object.

  • add np.zeros wrapper to DataMap

Improvements/Bug Fixes

  • rename index methods of Lattice object to use superindex naming convention

  • cast distidx to full numpy array instead of list of arrays

  • replace deprecated np.bool type with the builtin bool

  • add endpoint argument to WignerSeitzCell meshgrid method

  • add endpoint argument to linspace of WignerSeitzCell

BREAKING CHANGE

index_from_position and index_from_lattice_index have been renamed to superindex_from_pos and superindex_from_index.

0.7.5 - 2022-25-05

Improvements/Bug Fixes

  • fix error when setting periodic neighbors twice

  • set periodic axes only if size is big enough (#67)

0.7.4 - 2022-10-05

New Features

  • add method neighbor_pairs for generating a list of neighbor indices

Documentation

  • add example to adjacency_matrix

  • add docstring to neighbor_pairs

0.7.3 - 2022-06-05

Improvements/Bug Fixes

  • adjacency_matrix is now vectorized and returns a csr_matrix

  • passing a False boolean as axis to set_periodic now removes the periodic boundaries

0.7.2 - 2022-04-05

New Features

  • add prefabs for the hexagonal (triangular) and honeycomb lattice.

  • add methods for building sparse matrices to DataMap class

Improvements/Bug Fixes

  • add argument for building in primitive basis to the finite_hypercubic method.

0.7.1 - 2022-29-03

New Features

  • add argument for setting periodic boundary conditions to the finite_hypercubic method.

  • add method for computing minimum distances in a lattice with periodic boundary conditions

  • add shape keyword argument to Lattice constructor

  • add CSR/BSR sparse matrix format of indices and index-pointers to DataMap

Code Refactoring

  • rename distance variables to distances_ to prevent same name as method

0.7.0 - 2022-21-02

New Features

  • Add method for computing the adjacency matrix of the lattice graph

  • Split the lattice structure into separate object LatticeStructure and use it as base class for Lattice

  • Split the lattice basis into separate object LatticeBasis and use it as base class for Lattice

Code Refactoring

  • use black code formatter

Documentation

  • add inheritance diagram to LatticeStructure and fix some docstrings

  • add inheritance diagram to Lattice

  • add example to LatticeBasis docstring

  • add attributes to docstring of LatticeBasis

  • improve docstring of Lattice class

0.6.7 - 2022-16-02

New Features

  • add method for hiding the box and axis of a plot

  • Add finite_hypercubic lattice prefab

  • use git-chglog to auto-generate changelogs

Improvements/Bug Fixes

  • add use_mplstyle to plotting module

  • change atom parameter order and fix resulting errors

  • use box for plot aspect ratio

  • improve lattice plotting and fix scaling/auto-limit issues

  • update change log template and include old entries

Code Refactoring

  • rename unitcell module to atom

Documentation

  • fix limits of plot in configuration tutorial

  • update index page of docs

  • fix docstrings of DataMap

  • add hamiltonian section to tutorial

  • add change log contributing to documentation

0.6.6 - 2022-12-02

Improved/Fixed

  • improve build process

  • improve periodic neighbor computation

  • improve documentation

  • improve CI/Tests

  • minor fixes

0.6.5 - 2022-03-02

New Features

  • 2D/3D Shape object for easier lattice construction.

  • repeat/extend built lattices.

Improved/Fixed

  • improve build process

  • improve periodic neighbor computation (still not stable)

  • add/improve tests

  • improve plotting

  • add more docstrings

  • fix multiple bugs