*****
0.9.0
*****

Released 16 of October 2017.


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

A total of 1 people contributed to this release.  People with a "+" by their
names contributed a patch for the first time.

* Nick Papior

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

A total of 0 pull requests were merged for this release.


* Enabled reading a tabular data-file

* Lots of updates to the spin-class. It should now be more coherent.

* Added rij and Rij to the sparse_geometry classes to extract orbital or
  atomic distance matrices (returing the same sparsity pattern).

* Renamed `which` keyword in `Geometry.center` to `what`

* Added uniq keyword to o2a for better handling of orbitals -> atoms.

* Fixed a performance bottleneck issue related to the `scipy.linalg.solve`
  routine which was changed since 0.19.0.

* Changed internal testing scheme to `pytest`

* Lots of bug-fixes here and there

* Geometry files used in the command-line has updated these arguments:

   * tile
   * repeat
   * rotate

  The order of the arguments are interchanged to be similar to the
  scripting capabilities.

  Also fixed an issue related to moving atoms into the unit-cell.

* Enabled deleting supercell elements of a sparse Geometry. This
  will come in handy when calculating the self-energies and Green
  functions. I.e. Hamiltonian.set_nsc(...) will truncate entries
  based on the new supercell.

* Preliminary testing of reading Siesta binary output (.RHO, .VT, etc.)

* Added parsing the Siesta EIG file (easy plotting, reading in Python)

* Changed interface for BrillouinZone objects.
  Now a BrillouinZone accepts any object which has cell/rcell entries.
  Any function call on the BrillouinZone object will transfer the call to the
  passed object and evaluate that function for all k-points in the BrillouinZone.

* sisl.io.siesta.tbtrans

  * Added current calculator to TBT.nc sile to calculate the current as TBtrans
    does it (this requires the latest commit in SIESTA which defines the
    chemical potential and electronic structure of *all* electrodes).

  * Bug-fixes for TBT.nc sile, the bond-currents for multi-orbital systems
    were in some cases wrong.

  * Huge performance increase for TBT.nc data processing. Now the majority
    of routines are based on array-indexing, rather than sparse loops.

  * Changed the DOS retrieval functions to be more flexible. The default is
    now to return the summed DOS across the selected atoms.

  * Added a TBTGFSileSiesta which enables one to create _external_ self-energies
    to be read in by TBtrans (complete electrode control).

  * Added `deltancSileSiesta` as a replacement for `dHncSileSiesta`, TBtrans 4.1b4
    will have two delta terms, dH (adds to bond-currents) and dSigma (does not
    add to bond-currents).

  * BEWARE, lots of defaults has changed in this release.

* Hamiltonian.tile is now even faster, only utilizing
  intrinsic numpy array functionality.

* Greatly speeded up Hamiltonian.remove/sub functions.
  Now there are no for-loops in the remove/sub routines which
  will greatly increase performance.
  It will now be much faster to generate the Hamiltonian for
  a small reference cell, tile/repeat it, remove atoms.