Magic numbers used in grids
Open
enhancement
- Dominant language
- C++
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- Avg merge
- 1d 12h
- Merged PRs (30d)
- 82
Description
Use this PR to track the magic numbers of grids used in the code.
1. When LCAOs AOs are transferred to quintic splines, a grid is used.
2. Cusp correction also uses a grid (for what exactly?)
3. Coulomb potentials are evaluated with cubic splines, a grid is used.
4. NLPP projector radial potentials are on a grid as well.
Please expand the list if you know anything not listed here.
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