SunnySuite / Sunny.jl

Spin dynamics and generalization to SU(N) coherent states
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Support loading magnetic structure from MCIF #277

Closed kbarros closed 1 month ago

kbarros commented 1 month ago

This probably needs lots of testing. In particular, I am not sure whether BNS vs OG setting is relevant. https://www.cryst.ehu.es/cryst/magnext_help.html

kbarros commented 1 month ago

Daniel Pajerowski helped with testing, and suggested a nice way to load crystal cells from mCIF files.