This PR addresses issue #68. Refering to the style comment I choose to add the documentation to each property rather to the class (IOData style). I was checking also Gbasis and there it's added to both. I personally like more adding the docs to the property but I could added to the class docs if it is needed. Minor comments:
For vdw_radius I saw in data_info.csv that truhlar is a type but for Carbon species (the one used in getting_started ) the returned dict didn't include truhlar. I still added it to the docs.
For all the properties where a dictionary of different types is returned (e.d polarizability) in the docstring I refer to data_info.csv instead of of adding them on the docstrings as we do in other cases for QC-devs.
Maybe I am wrong on this but I think compile is a python bult-in method.
This PR addresses issue #68. Refering to the style comment I choose to add the documentation to each property rather to the class (IOData style). I was checking also Gbasis and there it's added to both. I personally like more adding the docs to the property but I could added to the class docs if it is needed. Minor comments:
vdw_radius
I saw in data_info.csv thattruhlar
is a type but for Carbon species (the one used in getting_started ) the returned dict didn't includetruhlar
. I still added it to the docs.compile
is a python bult-in method.