deepmodeling / deepmodeling/DeePTB
Support data parsing from popular DFT softwares.
Open
- Dominant language
- Python
- Stars
- 122
- Forks
- 36
- PR merge metrics
- No merged PRs in 30d
Description
### Background
Maybe Vasp or Openmx?
### Describe the solution you'd like
Just implement one other data parsing function.
### Additional Context
_No response_
Contributor guide
Research direction
No files, tests, or existing parser entry points are named. Start by locating the current data-parsing functions in DeePTB and compare their supported formats with VASP or OpenMX outputs. Done means one additional DFT software format is parsed correctly, with its expected data made available to the package.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100