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Backport fix from PR #403. [ci skip]
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This PR provides a convenience method on the
sire.mol.dynamicsobject to fix a performance bug insomd2that arises from accessing the entire (growing) energy trajectory at the end of each repex cycle. Instead, we store the current energy records each time they are computed and provide a method to return the current values. The values are sorted in ascending lambda order by default when input is provided bysomd2, but the convenience function also has asortkwarg to allow a user to ensure sorted order if the lambda window array that is passed in is unsorted.develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]@akalpokas