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Version 1.2.0 ++++++++++++++++++

What's Changed

Extensive refactoring of the code base, including:

* removed the DMN class instead only the  SymmetriserSAWF should be used
* select_bands instead of apply_window
* allowed to init w90 file without reading
* joined classes CheckPoint with CheckPointBare
* reorganized into submodules:
    - fourier
    - data_K
    - calculators.sdct
* Reorder xxr (#390) : the order of indices for all R-space matrices is now [iR, WF1, WF2, ....]. Earlier it was [WF1 ,WF2, iR, ...]
* Mdrs is applied from beginning (no need to call do_ws_dist for System_w90, System_phonon. )
* The tolerance for MDRS is raised to 0.1
* separated Rvectors into a separate class.
* Forces the following parameters (they are not parameters anymore):
    - use_wcc_phase = True
    - use_ws = True
    - wcc_phase_fin_diff = True (unless) transl_inv_JM = True)
* cleaned the old code for
 - sym_wann.py (old implementation)
 - use_wcc_phase=False
 - use_ws = False
 - matrix elements in R space are ALWAYS evaluated in convention I (Oscar's or JaeMo's scheme)

Version 0.15.0 ++++++++++++++++++

What's Changed

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v...v0.15.0

Version 0.14.0 ++++++++++++++++++

What's Changed

  • refactoring ??_R by @stepan-tsirkin in wannier-berri#224

  • Fix an edge case in DynamicCalculator by @jhryoo in wannier-berri#216

  • modified ci.yml to avoid double builds by @stepan-tsirkin in wannier-berri#228

  • also avoid double checks for lint and codecov by @stepan-tsirkin in wannier-berri#229

  • Boosting speed in run.py by @jhryoo in wannier-berri#217

  • allowed avoid writing frmsf files by @stepan-tsirkin in wannier-berri#226

  • utils.postw90 by @stepan-tsirkin in wannier-berri#188

  • fixed the tetrahedron method to be more accurate with der=0 by @stepan-tsirkin in wannier-berri#231

  • allowed evaluation of multiple sets of Fermi levels in one calculatio… by @stepan-tsirkin in wannier-berri#234

  • fixed a bug for tetrahedron method by @stepan-tsirkin in wannier-berri#232

  • SystemSparse by @stepan-tsirkin in wannier-berri#240

  • Tetrahedron grids by @stepan-tsirkin in wannier-berri#233

  • fixed rename of w90io bycommit 88f556ca99f288d9086796946b2f4fcc015c2d55 (HEAD -> v1.2.0, origin/master, origin/HEAD, master) Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Sun Apr 27 13:37:19 2025 +0200

    remove dmn (#392)

    • reorganized
    • removed the DMN class - only symmetriser, more organizing
    • select_bands instead of apply_window
    • allowed to init w90 file without reading
    • CheckPoint with CheckPointBare

commit ec4fe6936a468050fbec0ac27073ed9296ea2077 Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Sat Apr 26 23:53:32 2025 +0200

Reorganiza submodules (#391)

*  fourier
* data_K
     -   separate sdct_K
* calculators.sdct

commit b2ba22d7db3385646c21675029b7496881a10e53 Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Thu Apr 24 18:14:30 2025 +0200

Reorder xxr (#390)

the order of indices for all R-space matrices is now [iR, WF1, WF2, ....]. Earlier it was [WF1 ,WF2, iR, ...]

commit b836cb981220c43f76a212d72d04c2f18ee48436 Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Thu Apr 24 13:13:30 2025 +0200

 small fix (#389)

Co-authored-by: Stepan Tsirkin <stepan.tsirkin@epfl.ch>

commit 077fd73eebce3335095eb93e82948eee214ca756 Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Tue Apr 22 20:17:23 2025 +0200

Mdrs from start (#388)

* in System_w90, ASE, phonon, the old WignerSeitz is not used - mdrs is applied from beginning

commit 9a02cc3cad1a6f4249a8e16a822b3fa00728b061 Author: Stepan Tsirkin stepan.tsirkin@ehu.eus Date: Mon Apr 21 21:11:33 2025 +0200

new method for  MDRS (#387)

*This PR implements the MDRS via the Rvectors class.
*The tolerance is raised to 0.1
*Data for GaAs_tb are updated (the old implementation was not precise for systems with noisy wannier centers)
*the unused reference data removed

@stepan-tsirkin in wannier-berri#246

  • rearrangements in sym_wann by @stepan-tsirkin in wannier-berri#245
  • created docs index by @stepan-tsirkin in wannier-berri#259
  • adding documentation to the main repository by @stepan-tsirkin in wannier-berri#260
  • Kdotp by @stepan-tsirkin in wannier-berri#243
  • documentation for kdotp by @stepan-tsirkin in wannier-berri#261
  • added test for dynamical caclculators with symmetrising results by @stepan-tsirkin in wannier-berri#262
  • changes TRodd, Iodd, TRtrans to more general transformations by @stepan-tsirkin in wannier-berri#263
  • Implement shift current and injection current via Calculator bization, it is recommended to give orbitals separately, not combined by a ';' sign." "But you need to do it consistently in way @jaemolihm in wannier-berri#197

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v0.13.5...v0.14.0

Version 0.13.5 ++++++++++++++++++

What's Changed

  • Solved index issue in the FPLO Hamiltonian reading function. by @philipp-eck in wannier-berri#203
  • Allow running tests without gpaw and ase by @jaemolihm in wannier-berri#195
  • Fix use of factor in static calculators by @jaemolihm in wannier-berri#202
  • Fix ray cluster script for pbs, add num-cpus-per-node argument by @jaemolihm in wannier-berri#205
  • added test python 3.10, removed 3.7 by @stepan-tsirkin in wannier-berri#212
  • symmetrization of magnetic system works for multi_atom unit cells. by @Liu-Xiaoxiong in wannier-berri#179
  • fixed spglib<2 by @stepan-tsirkin in https://github.com/wannieization, it is recommended to give orbitals separately, not combined by a ';' sign." "But you need to do it consistently in war-berri/wannier-berri/pull/213
  • Bump protobuf from 3.20.1 to 3.20.2 by @dependabot in wannier-berri#211
  • Phonons by @stepan-tsirkin in wannier-berri#191
  • Change the attribute KpointBZ._max into a lazy property by @jhryoo in wannier-berri#218

New Contributors

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v0.13.4...v0.13.5

Version 0.13.0 ++++++++++++++++++

What's Changed

  • typo in cumdos by @Liu-Xiaoxiong in wannier-berri#166
  • smoothwers in calculators by @stepan-tsirkin in wannier-berri#161
  • allowed tabulation along a path using by @stepan-tsirkin in wannier-berri#164
  • separated the old API to a submodule by @stepan-tsirkin in wannier-berri#163
  • Fermiocean to calculator with doc by @Liu-Xiaoxiong in wannier-berri#165
  • Change unit to SI by @Liu-Xiaoxiong in wannier-berri#168
  • All Class in Static are children of StaticCalculator by @Liu-Xiaoxiong in wannier-berri#169
  • Cleanup by @stepan-tsirkin in wannier-berri#162
  • Re-arranged files into submodules result, system , formula
  • rewrote most functionality as Calculators
  • EnergyResult writes comment into output file
  • separate classes Serial() and Parallel()

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v0.12.0...v0.13.0

Version 0.12.0 ++++++++++++++++++

What's Changed

Version 0.11.1 ++++++++++++++++++

What's Changed

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v0.11.0...v0.11.1

Version 0.11.0 ++++++++++++++++++

What's Changed

New Contributors

Full Changelog: https://github.com/wannier-berri/wannier-berri/compare/v0.10.0...asdf