This is the matching release of AutoBZCore v0.2. These are some of the highlights
Auxiliary integration of kinetic coefficients
Multi-threading of IAI, PTR, AutoPTR
Automatic rule caching and memory allocation
Inferrable integral solvers
Faster compile times
A collection of tests for the features of library! (the coverage is incomplete, so more contributions are welcome, especially tests for correctness)
For the most part the usage stays the same except in places where less data needs to be provided by the user. See the updated demos for up-to-date scripts. Compared to previous versions, the numerical results will change slightly because we finally caught a missing correction of H_R and A_R coefficients by the degeneracy of the R points.
Lots of ideas in this implementation are taken from the SciML ecosystem and the rule interface of HCubature.jl. This package is specifically meant to be good at Wannier interpolation and does not aim to be the most general purpose integration library. My ethos is that the library takes care of the Wannier interpolation and the user provides a thread-safe kernel of the integrand.
This is the matching release of AutoBZCore v0.2. These are some of the highlights
Lots of ideas in this implementation are taken from the SciML ecosystem and the rule interface of HCubature.jl. This package is specifically meant to be good at Wannier interpolation and does not aim to be the most general purpose integration library. My ethos is that the library takes care of the Wannier interpolation and the user provides a thread-safe kernel of the integrand.