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Commit Graph

4 Commits

Author SHA1 Message Date
Oleg E. Peil
89b7a95a8b Renamed 'params' to 'proj_params' in class Plocar 2015-10-14 17:44:01 +02:00
Oleg E. Peil
f457f5cc7a Modified ElectronicStructure for new projectors
Some necessary modifications to class ElectronicStructure in order
to conform the modified projector input. In particular, the dimensions
of the projector array are now taken directly from the array,
and the old dictionary 'params' is replaced with a list 'proj_params'
containing information on the character of projectors.
2015-10-14 17:36:39 +02:00
Oleg E. Peil
4cc989fbea Fixed class ElectronicStructure
Small fixes to accord with the changes of Vaspio:
* 'nspin' is now taken from Eigenval.ispin
* 'nc_flag' is now determined from the value of 'ncdij' read from DOSCAR
* 'ferw' is now taken from Eigenval
2015-10-14 16:22:10 +02:00
Oleg E. Peil
819fc987f0 Reshuffled files after repository merge
The files from the original vasp-interface repository are reshuffled in
accord with the directory structure of dft_tools. Some of the directories,
such as 'test' (unit tests for the interface), 'examples' (simple examples for
the development purposes) are temporarily placed into 'python/vasp' directory
to avoid confusion with integral tests and examples of dft_tools.
2015-10-13 11:27:55 +02:00