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

..

plovasp

Added possibility to specify equivalent groups of ions

2018-12-04 12:52:02 -05:00

__init__.py

Merge branch 'master' into vasp

2017-01-27 12:19:03 +01:00

.gitignore

Reshuffled some files, added .gitignore

2015-10-21 11:54:22 +02:00

CMakeLists.txt

Fixing install of python files after cmake changes

2018-02-14 16:22:11 -05:00

converter_tools.py

Continued

2018-01-22 17:37:27 -05:00

hk_converter.py

Fixed bugs. The latest numpy accepts only an integer as an index.

2017-03-17 21:05:09 +09:00

vasp_converter.py

Fixed import of 'converter_tools' in 'vasp_converter'

2016-03-10 12:06:27 +01:00

wannier90_converter.py

Minor clean up, pep-ified to allow doc compilation to run smoothly

2016-05-09 10:19:56 +02:00

wien2k_converter.py

Merge tag '1.5'

2018-05-26 23:56:46 +02:00