Jeff Hammond

https://github.com/nwchemgit/nwchem/pull/536 is one step towards this

Makes sense to me. I wasn't sure about Windows. I'll remove it from the list.

You can look up the `file_prefix`, `scratch_dir`, or `permanent_dir` keys from the RTDB. The function `nw_inp_from_file` already has the RTDB handle so just look at `$NWCHEM_TOP/src/rtdb/rtdb.h` for the C API.

There's an option in TCE for this already. I implemented it years ago. I forgot the keyword. Will look it up later.

eionly in tce block. You might need to edit source to get the format you want. Happy to guide you.

See also #23

No, but please look at https://github.com/nwchemgit/nwchem/issues/23#issuecomment-371276682, as you might be able to implement it in the TCE module yourself using the `eionly` method I noted.

The imaginary frequency polarizability code was removed (or should be if I’m remembering wrong) because it was never validated sufficiently and there was reason to believe it was not 100%...

@ebylaska Is the heaviest user of NWChem's Python capability (AFAIK) so he should review those changes.

If we are using ISO_C_BINDING now, I’ll write a tutorial. I have a lot of examples from other projects.