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mirror of https://github.com/triqs/dft_tools synced 2024-08-07 21:10:01 +02:00
dft_tools/python
Oleg E. Peil e5bb2d1b80 Fixed a bug in the calculation of the total energy
In the calculation of the Hamiltonian correction to the total energy
the arrays were not always aligned if the number of bands varied inside
the energy window.
2016-05-10 11:48:28 +02:00
..
converters Fixed problems with SC script 2016-05-10 11:47:58 +02:00
__init__.py Moved U_matrix to TRIQS library 2015-06-17 18:19:30 +02:00
.gitignore Reshuffled some files, added .gitignore 2015-10-21 11:54:22 +02:00
clear_h5_output.py Fix subgroup name in clear_h5_output.py 2015-03-12 11:01:02 +01:00
CMakeLists.txt Added a shell script for running PLOVasp converter 2016-03-11 11:35:19 +01:00
sumk_dft_tools.py Adapt to complex g(tau) 2015-12-12 14:30:06 +01:00
sumk_dft.py Fixed a bug in the calculation of the total energy 2016-05-10 11:48:28 +02:00
symmetry.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
trans_basis.py [doc] New documentation 2015-04-21 14:31:15 +02:00
update_archive.py Unify notation in sumk_dft_tools. 2015-01-22 10:47:53 +01:00
version.py.in Able to get dft_tools hash now 2016-02-07 10:43:23 +01:00