dft_tools

LCPQ/dft_tools

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Commit Graph

Author	SHA1	Message	Date
Oleg E. Peil	61cb087561	Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.	2015-11-18 19:02:21 +01:00
Oleg E. Peil	dda331b986	Fixed 'vaspio' tests Added 'rpath.py' module to determine the current directory. Also fixed the test example for EIGENVAL: VASP 5.4 uses a format with Fermi weights output (unlike previous versions).	2015-10-16 11:52:33 +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

61cb087561

Added a test to '_proj_group' test suite

Added a test comparing two-site density and overlap matrices.

2015-11-18 19:02:21 +01:00

Oleg E. Peil

dda331b986

Fixed 'vaspio' tests

Added 'rpath.py' module to determine the current directory.

Also fixed the test example for EIGENVAL: VASP 5.4 uses a format
with Fermi weights output (unlike previous versions).

2015-10-16 11:52:33 +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

3 Commits