choderalab/pymbar — pull request #112 by kyleabeauchamp (2014-09-26 18:48:54+00:00)
Title: [WIP] FFT based equilibration detection.

One issue is that some of the previous "tricks" are ineffective (e.g. `fast=True`), as the FFT-based approach calculates all lagtimes simultaneously.

For the search the discard region `t`, I've elected to just do binary search of the logarithmically-spaced lagtime grid.