Hello,
It appears that fetching from the Basis Set Exchange is currently broken because the service has deprecated/redirected its HTTP endpoints in favor of HTTPS.
When I run example.py, I'm currently getting this error on line 39:
coordinates, weights = numgrid.atom_grid_bse(
^^^^^^^^^^^^^^^^^^^^^^
pyo3_runtime.PanicException: called `Result::unwrap()` on an `Err` value: reqwest::Error { kind: Request, url: "http://basissetexchange.org/api/basis/cc-pVDZ/format/json?elements=8", source: hyper_util::client::legacy::Error(Connect, ConnectError("invalid URL, scheme is not http")) }
I think all that needs to be done is to update this line in bse.rs to use HTTPS.
Hello,
It appears that fetching from the Basis Set Exchange is currently broken because the service has deprecated/redirected its HTTP endpoints in favor of HTTPS.
When I run example.py, I'm currently getting this error on line 39:
I think all that needs to be done is to update this line in bse.rs to use HTTPS.