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Commit Graph

5 Commits

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
f994b82704 Rearranged and fixed some tests
First of all, suite '_plotools' is now split into three separate suites
'_plotools', '_proj_shell', '_proj_group', following the changes made
into the structure of the code.
Second, the two tests in 'test_projshells.py' have been fixed to conform
to the recent modifications in the code and input files.
2015-11-18 12:38:04 +01:00
Oleg E. Peil
87b00f61b1 Added a format check for EIGENVAL to vaspio.py
Added a check to 'vaspio.py' testing that the number of columns
implies that the Fermi weights are present in EIGENVAL. This check ensures
that the new format (starting from VASP 5.4) of the file is used.

Corresponding test is added to the suite.
2015-10-16 11:59:02 +02:00
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