Closed kbarros closed 2 years ago
Cole: I added your name as a reviewer just in case you were curious to see the expanded symmetry analysis. David, Xiaojian, and myself have been working closely on this, so it already has a lot of review.
Sorry, apparently some of the anisotropies for the Langevin tests are formally invalid. I'll see if I can fiddle with the (largely irrelevant) crystal I put those tests on to get things working again.
I added a validity check and automatic anisotropy propagation. I tested the interface in a number of different situations (creating SpinSystem
s with no anisotropies, invalid anisotropies, multiple anisotropies on same site), and it behaved appropriately.
Tests are passing again. For the Langevin statistics tests, I just put all the anisotropy models on an FeI2 crystal instead of the ad hoc crystal I was using before.
I think it's good go as far as tying the new symmetry analysis into Sunny's interface. Let me know if I forgot anything or you want some additional tests added.
I think this is good to merge. Any last comments?
It looks great to me.
This includes new functions:
print_allowed_anisotropy() print_suggested_frame()
Analysis for usual exchange interactions has also been improved, with the new function:
print_allowed_couplings()