mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 04:43:42 +01:00
55 lines
1.8 KiB
Markdown
55 lines
1.8 KiB
Markdown
Version 3.0.0
|
|
-------------
|
|
|
|
* Major rework of the VASP interface, including thorough documentation and tutorials
|
|
|
|
Thanks to all commit-contributors (in alphabetical order):
|
|
Markus Aichhorn, Alexander Hampel, Oleg Peil, Malte Schueler, Nils Wentzell, Manuel Zingl
|
|
|
|
|
|
Version 2.2.1
|
|
-------------
|
|
|
|
DFTTools Version 2.2.1 makes the application available
|
|
through the Anaconda package manager. We adjust
|
|
the install pages of the documentation accordingly.
|
|
We provide a more detailed description of the changes below.
|
|
|
|
* Add a section on the Anaconda package to the install page
|
|
* Add a LICENSE and AUTHORS file to the repository
|
|
|
|
|
|
Version 2.2.0
|
|
-------------
|
|
|
|
* Ensure that the chemical potential calculations results in a real number
|
|
* Fix a bug in reading Wien2k optics files in SO/SP cases
|
|
* Some clarifications in the documentation
|
|
* Packaging/Jenkins/TRIQS/Installation adaptations
|
|
|
|
This is to a large extend a compatibility release against TRIQS version 2.2.0
|
|
|
|
Thanks to all commit-contributors (in alphabetical order):
|
|
Markus Aichhorn, Dylan Simon, Erik van Loon, Nils Wentzell, Manuel Zingl
|
|
|
|
|
|
Version 2.1.x (changes since 1.4)
|
|
---------------------------------
|
|
|
|
* Added Debian Packaging
|
|
* Compatibility changes for TRIQS 2.1.x
|
|
* Jenkins adjustments
|
|
* Add option to measure python test coverage
|
|
* VASP interface (and documentation)
|
|
* Added thermal conductivity in transport code (and documentation)
|
|
* BlockStructure class and new methods to analyze the block structure and degshells
|
|
* Multiple fixes of issues and bugs
|
|
* Major updates and restructuring of documentation
|
|
|
|
|
|
|
|
Thanks to all commit-contributors (in alphabetical order):
|
|
Markus Aichhorn, Gernot J. Kraberger, Olivier Parcollet, Oleg Peil, Hiroshi Shinaoka, Dylan Simon, Hugo U. R. Strand, Nils Wentzell, Manuel Zingl
|
|
|
|
Thanks to all user for reporting issues and suggesting improvements.
|