sisl: nsc should not belong to Lattice
It is weird because `nsc` is not really a property of the lattice, no? It only makes sense in a combination of a lattice, some sites, and something that defines the range of the sites. Perhaps the lattice information should be separated from the auxiliary cell information, which could be an attribute -`aux_cell`- of `Geometry` or whatever other class where it makes sense.
So lattice would hold cell and pbc, and aux_cell would hold nsc.
_Originally posted by @pfebrer in https://github.com/zerothi/sisl/issues/550#issuecomment-1469775585_
About this issue
- Original URL
- State: open
- Created a year ago
- Comments: 18 (18 by maintainers)
Commits related to this issue
- changed default for translate2uc for only pbc directions Signed-off-by: Nick Papior <nickpapior@gmail.com> — committed to zerothi/sisl by zerothi a year ago
You can see in the Siesta code that the simple estimation of
nscis in fact done only via max-orbital ranges and the lattice parameters. But it is often different than the simple one.