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sc arguments should be named cell

See original GitHub issue

Describe the bug sc keyword arguments are used in a few places.

All these should be named cell to make it clear what it is.

The main problem is that sc has been used since the beginning, so probably we need to have it allowed (until it truly becomes deprecated)

The following should be changed:

  • Change SuperCell to Cell
  • Change sc arguments to cell
  • Allow sc arguments via `**kwargs`` for fall-back and backward compatibility

Now I have a problem with the attached supercell instances. E.g. Geometry.sc (and all the other classes) is now a bit misleading.

How should this object be renamed (HELP WANTED):

  • obj.abc for a-b-c lattice vectors
  • obj.uc for unit-cell
  • obj.c for cell
  • obj.cell, this is the only thing that won’t work because obj.cell already refers to the cell-vectors
  • obj.* other suggestions?

Issue Analytics

  • State:open
  • Created 5 years ago
  • Comments:7 (7 by maintainers)

github_iconTop GitHub Comments

1reaction
jonaslbcommented, Dec 10, 2018

Okay – but if not supercell then I think that cell is the only other reasonable option (that I can think of). The existing cell should then be removed in favor of the Cell object. I can see that obj.cell.cell is weird, maybe obj.cell.basis or obj.cell.vectors (or abc, as you suggested yourself) is better then? Possibly putting an alias into CellChild (that I just realized existed!) via @property so that the matrix can be accessed directly via cellchild.basis or whichever.

0reactions
zerothicommented, Jan 30, 2019

I am beginning to be more keen on using Lattice, it is short! 👍

Read more comments on GitHub >

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