What is the best way to rearrange the lattice vectors of a structure object? #2638
-
|
What methods (if any) are there to rearrange the lattice parameters of a structure object (swap a and b over etc.) without breaking it? I would assume that directly changing a b and c in the structures lattice property would result in the structure object becoming invalid more than anything? I'm doing some work that isnt commutative with respect to the lattice parameters so I wanted to be able to try every combination of a,b and c and return the best result. |
Beta Was this translation helpful? Give feedback.
Replies: 2 comments
-
|
You can apply a transformation matrix to the lattice parameters. See Structure.apply_transformation. |
Beta Was this translation helpful? Give feedback.
-
|
ah thanks thats pretty obvious a solution in retrospect, thank you for answering both my questions! |
Beta Was this translation helpful? Give feedback.
You can apply a transformation matrix to the lattice parameters. See Structure.apply_transformation.