deepmodeling / deepmodeling/dpdata
[Feature Request] Add a controller to switch on/off registered post function rot_lower_triangular when load system from POSCAR
Open
enhancement
vasp
- Dominant language
- Python
- Stars
- 254
- Forks
- 158
- Avg merge
- 4d 1h
- Merged PRs (30d)
- 2
Description
### Summary
Add a controller to switch on/off registered post function `rot_lower_triangular` when load system from `POSCAR`
### Detailed Description
As `rot_lower_triangular` function may re-orient structure under global coordinates that omit structural alignment information that may be important for further structure manipulations.
### Further Information, Files, and Links
please refer to original discussion [page](https://github.com/deepmodeling/dpdata/discussions/641)
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