Oleg E. Peil f89ea4c639 Added output of ion sort corresponding to a shell ... The data for a projected shell (output to a '*.pgX' file) contains now the ion sort corresponding to this shell. Also, 'check_data_consistency()' was fixed by correcting the reference to list 'type_of_ion' (which is now copied to ElectronicStructure).		2015-10-11 14:03:13 +02:00
..
c/plocar_io	Removed redundant index reassignments in 'c_plocar_io.c'	2015-10-11 13:55:04 +02:00
doc	Added documentation on the output file formats	2015-10-11 13:57:46 +02:00
examples/simple	Added 'conv_example.py' to test the converter.	2015-10-11 14:03:13 +02:00
python	Added output of ion sort corresponding to a shell	2015-10-11 14:03:13 +02:00
test	Fixed test setup for 'test_projgroups.py'	2015-10-11 14:03:13 +02:00
notes.txt	Initial commit	2015-10-11 13:55:03 +02:00