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Releases: tfrederiksen/inelastica

v1.3.7

07 Sep 07:13
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  • various py3 fixes
  • fix for characteristic length calculation (Jonas)

v1.3.6

04 Jun 14:09
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  • fixed py2 integer divisions (jonaslb)
  • removed string module (jonaslb)
  • fdf keyword fixes for recent siesta versions (jonaslb)
  • more codestyle fixes

v1.3.5

18 Jul 12:57
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  • The FermiSurface.BXSF output is re-enabled with Bandstructures --FermiSurface
  • Phonon band structure can be computed without having the TSHS files (Papior)
  • AuH2 example compatible with TranSIESTA-4.1
  • Python 3 support

v1.3.4

29 May 08:46
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  • NEB module: examples and documentation added (Paulsson)
  • General cleanup of Examples
  • Minor bugfixes
  • Code style improvements
  • out/err to separate log-files

v1.3.3

14 Mar 13:24
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This release includes the following changes:

  • Complete Examples/Graphene-SiC showcasing VCA for doped semiconductor electrodes and IETS simulations at the M-point (Minamitani)
  • Some updates to the documentation
  • DEPLOY.md added

v1.3.2

11 Mar 23:37
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This release includes the following changes and additions:

  • CO/Cu(111) example for the STM module added (Gustafsson)
  • Graphene/SiC example initiated (Emi Minamitani)
  • Fixed an index issue in the Symmetry module (bug #26) (Paulsson)
  • CommonFunctions split into io.log and misc.multiprocessing (Frederiksen)
  • math module restructured and better documented (Frederiksen)
  • More PEP8 style modifications (Brandimarte, Frederiksen)
  • Enabled build in sub-git directories (Papior)
  • Updated API documentation (Brandimarte, Frederiksen)

Edit: Forgot to set the version/release label properly in setup.py. This release will thus erroneously print v1.3.1 to the logfiles etc.

v1.3.1

04 Mar 21:42
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This release includes the following changes and additions:

  • General style modifications according to PEP8 (Brandimarte, Frederiksen)
  • Code cleanup according to codacy checks (Brandimarte, Frederiksen)
  • API documentation initiated (Brandimarte, Frederiksen)
  • Inelastica version info included in logfiles (Frederiksen)
  • 1D carbon chain test system (Frederiksen)

v1.3.0

26 Feb 10:19
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This version marks the first release of Inelastica after the migration to GitHub.

Main new features:

  • proper module/submodule structure of Inelastica (Thomas Frederiksen, Nick Papior)
  • STM image simulator module (Alexander Gustafsson)
  • Sphinx documentation initiated (Pedro Brandimarte)
  • automatic Travis testing (Nick Papior)

Note: Despite no formal release of the v1.2 series, this name will be reserved to the developments found at Sourceforge.