Add QCSchema Basis

Open wilhadams opened this issue 4 years ago • 2 comments

This adds the QCSchema basis load_one and dump_one. I wouldn't ever use this schema over the Basis Set Exchange's basis schema, which is just slightly incompatible with this schema for unknown reasons. In future it would probably be better to use the BSE python module for converting basis set data.

Sep 12 '21 21:09 wilhadams

One test is failing: https://github.com/theochem/iodata/pull/280/checks?check_run_id=3584491841#step:6:1564

Sep 13 '21 08:09 tovrstra

@wilhadams Thanks for the PR. Please let me know if you'd like me to review it a more in depth.

Sep 13 '21 08:09 tovrstra