ce4aed3551
updated the Elk interface to fix some minor bugs which arose for certain systems with equivalent atoms. I've also included new tests for this interface and collated all of these interface tests in the "test/python/elk" subdirectory. |
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| .github | ||
| bin | ||
| c++ | ||
| deps | ||
| doc | ||
| fortran/dmftproj | ||
| packaging | ||
| python/triqs_dft_tools | ||
| share | ||
| test | ||
| .clang-format | ||
| .clang-tidy | ||
| .dockerignore | ||
| .gitignore | ||
| AUTHORS.txt | ||
| ChangeLog.md | ||
| CMakeLists.txt | ||
| COPYING.txt | ||
| Dockerfile | ||
| Jenkinsfile | ||
| LICENSE.txt | ||
| README.md | ||
| requirements.txt | ||
DFT_Tools - A TRIQS application for ab initio calculations
Copyright (C) 2011-2019: M. Aichhorn, L. Pourovskii, V. Vildosola and C. Martins Copyright (C) 2020-2022: The Simons Foundation
- Documentation
You will find the documentation of this application under triqs.github.io/dft_tools.
- Installation
The installation steps are described in triqs.github.io/dft_tools/latest/install
- Version
You can find the version and release number of the application on the top of the CMakeLists.txt file in this directory.
- License
This application is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version (see http://www.gnu.org/licenses/).
It is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.