diff --git a/docs/src/developer/conventions.md b/docs/src/developer/conventions.md index a83b854c96..f42b30b7f4 100644 --- a/docs/src/developer/conventions.md +++ b/docs/src/developer/conventions.md @@ -79,8 +79,8 @@ reciprocal-space lattice vectors by ``B = 2\pi A^{-T}``. (notably Python and C) use row-major ordering. Care therefore needs to be taken to properly transpose the unit cell matrices ``A`` before using it with DFTK. - For the supported third-party packages `load_lattice`, - `load_positions` and `load_atoms` again handle such conversion automatically. + Calls through the supported third-party package AtomsIO handle such conversion + automatically. We use the convention that the unit cell in real space is ``[0, 1)^3`` in reduced coordinates and the unit cell in reciprocal