Numerical utilities

NQCDynamics.FastDeterminant — Module

FastDeterminant

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.

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NQCDynamics.FastDeterminant.det! — Method

det!(A::AbstractMatrix, ws::LUWs)

Same as det but the user must provide the LU workspace from FastLapackInterface.

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