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Commit Graph

6 Commits

Author SHA1 Message Date
Oleg E. Peil
b85b62d693 Removed a redundant dependency of ProjectorGroup on 'ferw' 2015-11-19 16:01:05 +01:00
Oleg E. Peil
5585e81f7d Added two tests for 'get_block_matrix_map()'
Two tests have been added for testing the basic functionality with
NORMION being either False or True.
2015-11-19 15:56:30 +01:00
Oleg E. Peil
c426946803 Added implementation for NORMION = True
The mapping for NORMION = True has been implemented.
Also, the orthogonalization loop has been fixed. First of all,
orthogonalization should be done separately for each block map 'bl_map'.
Second, one has to take into account that the orbital dimensions of the
block matrix can vary from block to block. To make that the overlap
matrix is non-singular one, thus, has to pass to
'orthogonalize_projector_matrix()' only a view of a submatrix of 'pmat'
corresponding to the current block.

Two tests to check the simplest cases have been added.
2015-11-19 12:11:55 +01:00
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
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