Skip to content

Commit

Permalink
Apply suggestions from code review
Browse files Browse the repository at this point in the history
Co-Authored-By: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>
  • Loading branch information
rartino and CasperWA authored Dec 23, 2019
1 parent be515ae commit 98db6e5
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions optimade.rst
Original file line number Diff line number Diff line change
Expand Up @@ -1742,8 +1742,10 @@ lattice\_vectors
- MUST be a list of three vectors *a*, *b*, and *c*, where each of the vectors MUST BE a list of the vector's coordinates along the x, y, and z Cartesian coordinates.
(Therefore, the first index runs over the three lattice vectors and the second index runs over the x, y, z Cartesian coordinates).
- For databases that do not define an absolute Cartesian system (e.g., only defining the length and angles between vectors), the first lattice vector SHOULD be set along *x* and the second on the *xy*-plane.
- This property MUST be an array of dimensions 3 times 3 regardless of the elements of :property:`dimension\_types`. The vectors SHOULD by convention be chosen so the determinant of the :property:`lattice_vectors` matrix is different from zero. The vectors in the non-periodic directions have no significance beyond fulfilling these requirements.
- All three elements of the inner lists of floats MAY be :val:`null` for non-periodic dimensions, i.e., those dimensions for which :property:`dimension\_types` is 0.
- This property MUST be an array of dimensions 3 times 3 regardless of the elements of :property:`dimension\_types`.
The vectors SHOULD by convention be chosen so the determinant of the :property:`lattice_vectors` matrix is different from zero.
The vectors in the non-periodic directions have no significance beyond fulfilling these requirements.
- All three elements of the inner lists of floats MAY be :val:`null` for non-periodic dimensions, i.e., those dimensions for which :property:`dimension\_types` is :val:`0`.

- **Examples**:

Expand Down

0 comments on commit 98db6e5

Please sign in to comment.