Kinisi

Latest version: v1.0.0

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1.0.0

What's Changed
* Int now valid for get_indices by arm61 in https://github.com/bjmorgan/kinisi/pull/38
* Move to cov_nearest by arm61 in https://github.com/bjmorgan/kinisi/pull/48
* Add support for variance estimation using the block averaging approach. by arm61 in https://github.com/bjmorgan/kinisi/pull/49
* Unwrapping FAQ by arm61 in https://github.com/bjmorgan/kinisi/pull/50
* Change abbreviations in paper.md by zhubonan in https://github.com/bjmorgan/kinisi/pull/51
* Correct typos in paper.md by jd15489 in https://github.com/bjmorgan/kinisi/pull/53
* Faster implementation of the get_disp function by jd15489 in https://github.com/bjmorgan/kinisi/pull/54
* Adds centre of geometry and centre of mass functionality by arm61 in https://github.com/bjmorgan/kinisi/pull/47
* Cog remove history by arm61 in https://github.com/bjmorgan/kinisi/pull/56
* Fix off-by-one error for framework indices by jd15489 in https://github.com/bjmorgan/kinisi/pull/59

New Contributors
* zhubonan made their first contribution in https://github.com/bjmorgan/kinisi/pull/51
* jd15489 made their first contribution in https://github.com/bjmorgan/kinisi/pull/53

**Full Changelog**: https://github.com/bjmorgan/kinisi/compare/0.7.2...1.0.0

0.7.2

Changes

- arm61 Revert the posterior predictive use for the extrapolation, as it is not possible given there is no known uncertainty in the extrapolated value.

0.7.1

Changes

- arm61 Support for the posterior predictive of the MSD distribution.
- arm61 Start using `uravu` version 1.3.0 which supports the posterior predictive of the `Relationship` object. This is used to extrapolate the diffusion at a given temperature for the `StandardArrhenius` and `SuperArrhenius` objects.

0.7.0

Changes

- arm61 - An argument has been added to the `diffusion` method. It is now **necessary** to pass the first time interval (in `kinisi` units of picoseconds) that should be used in the diffusion analysis. This should be greater than the start of the diffusive regime.
- alexsquires - Support for ASE objects has been added.
- alexsquires - Improvements to the saving and loading `.hdf` file functionality.
- arm61 - Documentation improvements.

0.6.5

Changes

- Bug fixes

0.6.4

Changes

- Bug fixes

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