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Commit Graph

10 Commits

Author SHA1 Message Date
Oleg E. Peil
4af8406b4c Fixed tests for ProjectorGroup
The tests have been modified to conform to the recent input and code
changes.
2015-11-18 15:46:58 +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
61395b12fa Restructured the source files
The classes ProjectorShell and ProjectorGroup are now defined in
different source files. This makes 'plotools.py' only contain
routines that control the data flows, including consistency checks
and output.
2015-11-13 18:15:21 +01:00
Oleg E. Peil
b285f37eca Added some new tests
New tests for the recently implemented parsers (for DOSMESH, EWINDOW,
and TRANSFILE) have been added.
2015-11-13 14:38:20 +01:00
Oleg E. Peil
8a718ea906 Fixed 'inpconf' tests after the recent changes
Some of the options of the config-file has been modified.
The tests have been adapted accordingly.
2015-11-13 13:54:26 +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
3aba5f4135 Added a doc-string to rpath.py 2015-10-16 11:22:38 +02:00
Oleg E. Peil
c8badb39ff Fixed 'inpconf' tests
Originally, the tests worked only when run from their respective
directory. If one tries to run them from another directory (which happens
when test discovery is used) the tests were not able to find the input files.
Now, a dummy module 'rpath' is added to all tests whose sole role is
to obtain the current path.
2015-10-16 11:16:48 +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