******
0.15.2
******

Released 6 of November 2024.

Contributors
============

A total of 3 people contributed to this release. People with a "+" by their
names contributed a patch for the first time.

* Arnold Kole +
* Nick Papior
* Pol Febrer

Pull requests merged
====================

A total of 17 pull requests were merged for this release.

* :pull:`#691 <691>`: Parsing of Mulliken charges from SIESTA stdout
* :pull:`#830 <830>`: Bump pypa/gh-action-pypi-publish from 1.10.1 to 1.10.2
* :pull:`#833 <833>`: Fixed spin polarized fatbands
* :pull:`#834 <834>`: Bump JamesIves/github-pages-deploy-action from 4.6.4 to 4.6.8
* :pull:`#836 <836>`: Fix orbital values when an orbital is completely outside of the...
* :pull:`#837 <837>`: Bump pypa/gh-action-pypi-publish from 1.10.2 to 1.10.3
* :pull:`#843 <843>`: Fix sparse grid tests
* :pull:`#844 <844>`: Fix failing test for minimal dependencies
* :pull:`#845 <845>`: Accessors and grouping documentation entries
* :pull:`#846 <846>`: fixed bug reading geometry from ncSileSiesta
* :pull:`#848 <848>`: Allow for any type of integer when requesting neighbor items
* :pull:`#849 <849>`: Improve plotables documentation
* :pull:`#850 <850>`: trying to fix the within_inf problem
* :pull:`#851 <851>`: major restructure of the documentation
* :pull:`#855 <855>`: Bump pypa/gh-action-pypi-publish from 1.10.3 to 1.11.0
* :pull:`#857 <857>`: fixed 5.2 reading of charges
* :pull:`#859 <859>`: Use cutoff from basis files (xml, nc)

Added
^^^^^
* added `timesSileSiesta` which can read siesta TIMES output
* Parsing of total Mulliken charges in `stdoutSileSiesta`, :pull:`#691 <691>`

Fixed
^^^^^
* reading charges from Siesta 5.2 output files, :pull:`#856 <856>`
* a read problem for very big simulations (related to `orbindxSileSiesta`)
* bug-fix for `tbtSileTBtrans.Eindex` handling of integers, :pull:`#829 <829>`
  This is a regression fix, integers will now be handled differently
  than prior releases.
  A warning is raised to inform users.
* fixed warning raised when reading electronic structure without Ef, :pull:`#826 <826>`
* fixed precision writing of energies in GF files (siesta), :pull:`#827 <827>`
* fixed reading `HSetupOnly` HSX files from Siesta, :pull:`#828 <828>`
* fixed reading stresses and forces from `stdoutSileSiesta`
  Note that generally the forces/stresses in the *Final* section of the
  output will **not** be returned. Only if there are no other forces/stresses
  in the output file.

Changed
^^^^^^^
* `tbtSileTBtrans.Eindex` changed, see :pull:`#829 <829>` for details.