Oleg E. Peil 0cec37f3fc Added 'type_of_ion' list to class Poscar ...

A list 'type_of_ion' mapping ion index to their types is added
to class Poscar. A corresponding test is also added.

2015-10-11 14:03:13 +02:00

..

converters

Added 'type_of_ion' list to class Poscar

2015-10-11 14:03:13 +02:00

__init__.py

Moved U_matrix to TRIQS library

2015-06-17 18:19:30 +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