Releases: tfrederiksen/inelastica
Releases · tfrederiksen/inelastica
v1.3.7
v1.3.6
- fixed
py2
integer divisions (jonaslb) - removed
string
module (jonaslb) fdf
keyword fixes for recent siesta versions (jonaslb)- more codestyle fixes
v1.3.5
- The
FermiSurface.BXSF
output is re-enabled withBandstructures --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
- 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
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
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 intoio.log
andmisc.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
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
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.