Lattpy 0.7.7

What's New

This release adds Python 3.11 support and includes small improvements and bug fixes

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

Full Changelog: 0.7.6...0.7.7

0.7.6

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

Full Changelog: 0.7.5...0.7.6

0.7.5

Improvements/Bug Fixes

• fix error when setting periodic neighbors twice
• set periodic axes only if size is big enough (#67)

Full Changelog: 0.7.4...0.7.5

0.7.4

New Features

• add method neighbor_pairs for generating a list of neighbor indices

Documentation

• add example to adjacency_matrix
• add docstring to neighbor_pairs

Full Changelog: 0.7.3...0.7.4

0.7.3

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

Build

• use setuptools_scm

Full Changelog: 0.7.2...0.7.3

0.7.2

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.

Full Changelog: 0.7.1...0.7.2

0.7.1

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

Full Changelog: 0.7.0...0.7.1

0.7.0

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

Full Changelog: 0.6.7...0.7.0

0.6.7

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

Full Changelog: 0.6.6...0.6.7

0.6.6

Improved/Fixed

• improved build process
• improved periodic neighbor computation:
• Improved documentation
• Improved CI/Tests
• minor fixes

Full Changelog: 0.6.5...0.6.6