These two software packages became very standard, I was wondering if input and output of those can be implemented into OpenBabel
NWChem input and output is ALREADY supported: http://openbabel.org/wiki/NWChem_output
As for ORCA, it would greatly help to have some example files and/or pointers to the file format description.
attached are ORCA input and output examples
whoops, can't attach
Examples of ORCA input are here
http://www.thch.uni-bonn.de/tc/orca/index.php?option=com_docman&task=doc_view&gid=6&Itemid=26
Parts of output are given here
http://www.thch.uni-bonn.de/tc/orca/index.php?option=com_docman&task=cat_view&gid=14&Itemid=26
If I knew how I would upload input and output
Added more examples of ORCA inputs and outputs to test repository
NWChem input and output is ALREADY supported:
http://openbabel.org/wiki/NWChem_output
As for ORCA, it would greatly help to have some example files and/or pointers to the file format description.
attached are ORCA input and output examples
whoops, can't attach
Examples of ORCA input are here
http://www.thch.uni-bonn.de/tc/orca/index.php?option=com_docman&task=doc_view&gid=6&Itemid=26
Parts of output are given here
http://www.thch.uni-bonn.de/tc/orca/index.php?option=com_docman&task=cat_view&gid=14&Itemid=26
If I knew how I would upload input and output
Added more examples of ORCA inputs and outputs to test repository