Skip to content

Latest commit

 

History

History
173 lines (124 loc) · 5.34 KB

CHANGELOG.md

File metadata and controls

173 lines (124 loc) · 5.34 KB
Raw

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