kinisi-0.3.7

Changes

• Bug fix in the diffusion resampling, previously the p_value parameter was never updated leading to normal test only being applied once. This has been resolved with this release.

kinisi-0.3.6

Changes

• Return to using the SciPy multivariate normal distribution.

kinisi-0.3.5

Changes

• Remove the condition number control from the matrix module

kinisi-0.3.4a

See kinisi-0.3.4. This release is to trigger the PyPI distribution release.

kinisi-0.3.4

Changes

• Improve stability of likelihood sampling by using hand rolled likelihood function.
• Reverted the removal the rtol parameter from the bootstrap method.

kinisi-0.3.3

Changes

• Improve stability of covariance matrix
• Remove the rtol parameter from the bootstrap method.

kinisi-0.3.2

Changes

• Reverted to using likelihood sampling, which with the fixes to the covariance matrix gives the same results as the bootstrap approach.

kinisi-0.3.1

Changes

• SciPy 1.7.0 is now required on installation

kinisi-0.3.0

Changes

• The variance is now determined from using generalised least squares on a number of random samples from the Gaussian process, this has the benefit of being more accurate and efficient.
• As a result of the above there is no longer a "Sampling Likelihood" tqdm bar.
• There is now a rtol kwarg for the bootstap_GLS method, this controls the rtol in the call to the scipy.linalg.pinvh that is used to stabilise the large matrices.
• All documentation has been adapted to reflect this methodological change.

kinisi-0.2.2

Changes

• Add the ability to use multiple identical simulations from an MDAnalysis.Universe class object.