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In this new version, exchange is treated entirely in Fourier space, via construction of$J(q)$ .
The important new feature is that the propagation wavevector$k$ is categorized into one of three "special" cases via the new function $J(q)$ will vary according to case. This is required as a correctness fix for FM and AFM structures (interpreted as generalized spirals), which involve $q$ with integer and half-integer components, respectively.
spiral_propagation_case
. The treatment of Fourier-space interactionsAfter some small cleanup, this is probably safe to merge. All tests pass, including new ones included in the PR. Also, performance seems roughly unchanged between new and old codes.
If this PR solves a high-priority problem for you, please let me know, and I'll be happy to focus on cleaning it up and merging.