lp:~william-dawson-g/bigdft/bigdft

Created by William Dawson on 2017-10-12 and last modified on 2019-02-15
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Owner:
William Dawson
Project:
BigDFT
Status:
Development

Recent revisions

2150. By William Dawson on 2019-02-15

Removed spurious print.

2149. By William Dawson on 2019-02-14

A few bug fixes

2148. By William Dawson on 2019-02-08

Cheaper version of purity calculations.

2147. By William Dawson on 2019-02-08

Multipole if guard

2146. By William Dawson on 2019-02-07

Optimization and cleanup of the set atom multipoles.

2145. By William Dawson on 2019-02-04

Some code cleanup, and index exceptions.

2144. By William Dawson on 2019-01-25

Moved the rotations/etc into the Fragment module.

2143. By William Dawson on 2019-01-25

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 on 2019-01-24

Update to FragmentStudio

2141. By William Dawson on 2019-01-24

Basic suppport for RotoTranslations restored.

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lp:bigdft
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