Tags: TRIQS/dft_tools
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Version 3.3.1 DFTTools Version 3.3.1 is a patch release that restores compatibility against recent numpy and scipy versions. We thank all contributors: Sophie Beck, Alexander Hampel, Nils Wentzell A detailed list of changes is provided in the [ChangeLog](https://github.com/TRIQS/dft_tools/blob/3.3.x/doc/ChangeLog.md).
Version 3.3.0 DFTTools Version 3.3.0 is a release that * is compatible with TRIQS 3.3.x * includes the latest app4triqs changes * introduce `dc_imp_dyn` attribute in sumk object to store dynamic part of DC potential * allows using MeshDLRImFreq as Sumk mesh * improved standard behavior of block struct (#248) (see below for details) We thank all contributors: Sophie Beck, Thomas Hahn, Alexander Hampel, Henri Menke, Dylan Simon, Nils Wentzell A detailed list of changes is provided in the [ChangeLog](https://github.com/TRIQS/dft_tools/blob/3.3.x/doc/ChangeLog.md).
DFTTools Version 3.2.1 Version 3.2.1 is a patch release that contains a few bug fixes. The following non breaking changes have been made: * fix depracted scipy.compress depr -> numpy.compress * fix incorrect numpy data type for Max OS ARM * fix a bug in SumkDFT.calc_density_correction: see issue #250 * fix a bug in the Wannier90 Converter when the disentanglement window isn't set by the user (see issue #252) * doc: fix typo in doi id of DC function We thank all contributors: Sophie Beck, Alexander Hampel
DFTTools Version 3.2.0 is a release that * is compatible with TRIQS 3.2.x * introduces a coherent mesh of the SumK object passed on init used throughout all member functions (see below for details) * unifies post-processing routines in `sumk_dft_tools` for all DFT codes to calculate DOS and spectral functions * adds support for non-collinear projectors when using Vasp 6 * adds transport / optics calculation support with Elk * introduces a new `dft_input` variable `dft_code` that identifies automatically the used dft code * adds transport / optics calculation with wannier90 using WannierBerri * moves all optics and transport related functions to a new module `sumk_dft_transport.py` * new chemical potential finder (fully backward combatible), that supports besides bisection also gradient finders * new double counting routines, moved to a separate function, improving spin-dependent formulas * improve performance of all routines performing k-sums. `extract_G_loc` is up to 5 times faster now We thank all contributors: Sophie Beck, Alberto Carta, Alexander Hampel, Alyn James, Harrison LaBollita, Dario Fiore Mosca, Oleg Peil, Nils Wentzell A detailed list of changes is provided in the [ChangeLog](https://github.com/TRIQS/dft_tools/blob/3.2.x/doc/ChangeLog.md).
Version 3.1.1 DFTTools Version 3.1.1 is a patch release that contains a few bug fixes. In particular, we resolve incompatibility with recent numpy versions. We thank all contributors: Alexander Hampel, Harry LaBollita A detailed list of changes is provided in the [ChangeLog](https://github.com/TRIQS/dft_tools/blob/3.1.x/doc/ChangeLog.md).
Version 3.0.0 DFTTools Version 3.0.0 is a major release that * is compatible with TRIQS versions 3.0.x * introduces compatibility with Python 3 (Python 2 is no longer supported) * is now aligned with the general [app4triqs](https://github.com/TRIQS/app4triqs) application skeleton * brings a major rework of the VASP interface, including thorough documentation, tutorials, a new Hamiltonian mode, the option to select bands instead of an energy window, and many small bugfixes. * brings a major update of the block structure functionalities especially for SOC calculations, with detailed documentation and tutorials. Allows more control over the block structure coming from DFT, cutting out certain orbitals or throwing away off-diagonal elements when preparing input for the solv er. * New option in dmftproj to select the projection window using band indices instead of energie We provide a detailed list of changes in the [ChangeLog](https://github.com/TRIQS/dft_tools/blob/3.0.x/doc/ChangeLog.md).
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
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