Numerical utilities
NQCDynamics.FastDeterminant
— ModuleFastDeterminant
When computing many determinants in a loop the allocation and GC of the temporary arrays for the pivots and workspace can contribute a large portion of the total runtime.
Using FastLapackInterface we can reduce the allocations and improve the runtime performance.
NQCDynamics.FastDeterminant.det!
— Methoddet!(A::AbstractMatrix, ws::LUWs)
Same as det
but the user must provide the LU
workspace from FastLapackInterface.