Imported python modules can't call nwchem functions
Click here for full thread
Clicked A Few Times
6:20:32 AM PDT - Tue, May 19th 2015
Thanks, Mernst.
I didn't know that "nwchem.py" was available as an intrinsic module.
With small (crucial) changes to the
simple.py
demo module, everything works.
### simple.py python module ###
import nwchem
def get_tag (tag=
):
return
nwchem.rtdb_get
(tag)
-drh