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ExpHP / rsp2

phonons in rust
Apache License 2.0
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support for more lattice types in `assign_layers` algorithm #3

Closed ExpHP closed 5 years ago

ExpHP commented 7 years ago

the algorithm I originally wrote in assign_layers is only correct when the desired normal vector is both parallel to one lattice vector, and perpendicular to the other two.

this is obviously insufficient for general lattices when taking into consideration equivalence of the lattice under unimodular transformations. There may also be other limitations that can be lifted if one is clever enough. I don't know.

not a terrible issue at the moment because it checks for bad cases and throws errors.

ExpHP commented 6 years ago

Still low priority, just wanted to mention that the best solution is likely to interpret normal as a Miller index. (i.e., it is the normal of the plane in units of the reciprocal vectors, not the real lattice vectors)

ExpHP commented 5 years ago

Triage: this was added already O_o