Oleg E. Peil 7db721c8d1 Optimized slightly orthogonalization routine ...

At one step of the orthogonaliztion procedure two matrix multiplications
have been replaced with one matrix multiplication and a element-wise
multiplication of a vector and a matrix.

2015-11-21 14:23:30 +01:00

..

converters

Added input of Fermi weights, cleaned-up the code

2015-11-19 16:32:50 +01:00

vasp

Optimized slightly orthogonalization routine

2015-11-21 14:23:30 +01:00

__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

Clean CMakeLists.txt

2013-08-07 16:30:09 +02:00

sumk_dft_tools.py

Removes work around for issue #41

2015-08-10 16:14:51 +02:00

sumk_dft.py

Removes work around for issue #41

2015-08-10 16:14:51 +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