iodata.formats.orcalog module¶
Orca output file format.
-
load_one
(lit)[source]¶ Load a single frame from a Orca output file.
- Parameters
lit (
LineIterator
) – The line iterator to read the data from.- Returns
A dictionary with IOData attributes. The following attributes are guaranteed to be loaded:
atcoords
,atnums
,energy
,moments
,extra
.- Return type
data
Notes