Created by William Dawson and last modified
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William Dawson

Recent revisions

2150. By William Dawson

Removed spurious print.

2149. By William Dawson

A few bug fixes

2148. By William Dawson

Cheaper version of purity calculations.

2147. By William Dawson

Multipole if guard

2146. By William Dawson

Optimization and cleanup of the set atom multipoles.

2145. By William Dawson

Some code cleanup, and index exceptions.

2144. By William Dawson

Moved the rotations/etc into the Fragment module.

2143. By William Dawson

A few improvements and fixes.

Datasets - some spelling corrections/beautify
Fragments - fix to pairwise distance
PostProcessing - removed spurious print
XYZ - ability to read from the database.

2142. By William Dawson

Update to FragmentStudio

2141. By William Dawson

Basic suppport for RotoTranslations restored.

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