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dft_tools/python/converters/vasp
Oleg E. Peil d794bfa0f5 Added output of a basic header into a ctrl-file
Added function 'ctrl_ouput()' which stores data common for all correlated
shells into a file '<basename>.ctrl'.
At the moment, only a very basic header is output.
The signature of 'plo_output()' is also modified to include an instance
of class 'ElectronicStructre' containing important information on
the lattice structure, Efermi, and k-points.
2015-10-11 13:57:46 +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 examples directory with one example 'simple' 2015-10-11 13:55:05 +02:00
python Added output of a basic header into a ctrl-file 2015-10-11 13:57:46 +02:00
test Added the parser of section [General] 2015-10-11 13:57:46 +02:00
notes.txt Initial commit 2015-10-11 13:55:03 +02:00