QMCPACK / QMCPACK/qmcpack

Spline orbital optimization tracker

Open
#4,865 6 comments 0 reactions 0 assignees View on GitHub
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 12h
Merged PRs (30d)
82

Description

Issue to track all the variations of splines and whether or not they support orbital rotation

**Normal Splines**
- [x] SplineR2R (#3907, #4710)
- [ ] SplineC2R
- [x] SplineC2C (#4505, #4710)
- [ ] ~~SplineC2ROMPTarget~~ no longer in code base.
- [ ] ~~SplineC2COMPTarget (almost ready, see [splc2comp_applyRotation](https://github.com/camelto2/qmcpack/tree/splc2comp_applyRotation))~~ no longer in code base.

**Hybrid Representation**
- [x] Hybrid SplineR2R (#4862)
- [ ] Hybrid SplineC2R
- [x] Hybrid SplineC2C (#4862)
- [ ] ~~Hybrid SplineC2ROMPTarget~~ no longer in code base.
- [ ] ~~Hybrid SplineC2COMPTarget~~ no longer in code base.

Contributor guide

Open the contributing guide

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.