dft_tools

LCPQ/dft_tools

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Commit Graph

Author	SHA1	Message	Date
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

Author

SHA1

Message

Date

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

2 Commits