1.8 KiB
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.