Is phosphorus supported?
Open
- Dominant language
- Python
- Stars
- 87
- Forks
- 21
- Avg merge
- 1m
- Merged PRs (30d)
- 1
Description
I get
```
Error from diat.py, overlap matrix
Some elements are not supported yet
```
when trying to use a molecule with phosphorus. Is there a work-around? Thanks.
Contributor guide
No contributing guide indexed for this repository
Research direction
Start by inspecting the error path named in diat.py, especially the overlap matrix handling, and trace how supported elements are determined. Confirm whether phosphorus can be handled and identify a documented workaround or the required support change; a phosphorus-containing molecule should no longer produce the unsupported-elements error.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100