IBZ limit evaluation functions + tests

lxvm / AutoBZ.jl

Automatic and adaptive BZ integration for electronic properties

https://lxvm.github.io/AutoBZ.jl/

MIT License

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IBZ limit evaluation functions + tests #17

Closed jasonkaye closed 1 year ago

jasonkaye commented 1 year ago

So far, I just dumped the source file for all functions into src and the test files in test...

lxvm commented 1 year ago

I just wrapped the new functions into the existing interface and rewrote the tests to compare against the default polyhedral library integration limits. They all pass, which is great! I also timed this implementation on a calculation of DOS on a tetrahedral IBZ and saw that it is 2x slower than the specialized IBZ, probably because it is making significantly more allocations. I can profile this tomorrow to see if I can chip away at the difference.