3
0
mirror of https://github.com/triqs/dft_tools synced 2024-11-12 17:13:48 +01:00
dft_tools/python/converters/vasp/test/plotools
Oleg E. Peil 0c4e3ad006 Changed order of indices of 'proj_arr' array
When a ProjectorShell is created it creates a view of the full
projector array with orbital 'ilm' and band 'ib' indices interchanged.
The reason for this is that this corresponds more naturally to the
definition of the projector P_{m\nu} and also allows for multiplications
of projector matrices without additional transposition.

The tests have been modified accordingly.
2015-10-11 13:55:04 +02:00
..
.gitignore Added several tests 2015-10-11 13:55:04 +02:00
DOSCAR Added several tests 2015-10-11 13:55:04 +02:00
EIGENVAL Added several tests 2015-10-11 13:55:04 +02:00
example.cfg Added several tests 2015-10-11 13:55:04 +02:00
IBZKPT Added several tests 2015-10-11 13:55:04 +02:00
mytest.py Added several tests 2015-10-11 13:55:04 +02:00
OUTCAR Added several tests 2015-10-11 13:55:04 +02:00
PLOCAR Added several tests 2015-10-11 13:55:04 +02:00
POSCAR Added several tests 2015-10-11 13:55:04 +02:00
projgroups.out Added a test suite for ProjectorGroup class 2015-10-11 13:55:04 +02:00
projshells.out Added several tests 2015-10-11 13:55:04 +02:00
runtest.sh Added several tests 2015-10-11 13:55:04 +02:00
test_consistency.py Added several tests 2015-10-11 13:55:04 +02:00
test_plotools.py Added several tests 2015-10-11 13:55:04 +02:00
test_projgroups.py Changed order of indices of 'proj_arr' array 2015-10-11 13:55:04 +02:00
test_projshells.py Changed order of indices of 'proj_arr' array 2015-10-11 13:55:04 +02:00
test_select_bands.py Added several tests 2015-10-11 13:55:04 +02:00