bjmorgan / kinisi

A Python package for estimating diffusion properties from molecular dynamics simulations.
https://kinisi.readthedocs.io
MIT License
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Likelihood #11

Closed arm61 closed 2 years ago

arm61 commented 2 years ago

Reverting to using the likelihood sampling method. This has two benefits:

Having fixed the problems with the covariance matrix sensitivity previously, this should give the same result as the random samples from a Gaussian process method.