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mirror of https://github.com/triqs/dft_tools synced 2024-12-21 20:03:41 +01:00
dft_tools/python
Oleg Peil 7471691219 Added possibility to specify equivalent groups of ions
* Added a new input format for the list of ions. It is now possible
  to group ions (like this [1  2]  [5  6]) that are considered
  equivalent in the solver. This has required changing the internal
  variable 'ion_list' to a dictionary 'ions' which can later be
  enhanced by other features (such as specifying ions by element name).
2018-12-04 12:52:02 -05:00
..
converters Added possibility to specify equivalent groups of ions 2018-12-04 12:52:02 -05:00
__init__.py BlockStructure class for manipulating GF structures 2016-09-13 11:57:48 +02:00
.gitignore Reshuffled some files, added .gitignore 2015-10-21 11:54:22 +02:00
block_structure.py BlockStructure: fix bug with bool comparison 2018-02-28 14:24:30 +01:00
clear_h5_output.py Minor clean up, pep-ified to allow doc compilation to run smoothly 2016-05-09 10:19:56 +02:00
CMakeLists.txt Fixing install of python files after cmake changes 2018-02-14 16:22:11 -05:00
sumk_dft_tools.py Merge tag '1.5' 2018-05-26 23:56:46 +02:00
sumk_dft.py Add doc to VASP converter concerning block structure 2018-07-09 10:50:36 -04:00
symmetry.py Port to new Python interface for Gf 2017-04-06 09:25:17 +02:00
trans_basis.py Updating import directives, minor correction to commit 2018-05-01 11:55:31 +02:00
update_archive.py Minor clean up, pep-ified to allow doc compilation to run smoothly 2016-05-09 10:19:56 +02:00
version.py.in Corrected version.py 2016-06-09 18:11:55 +02:00