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Merging dev 1.1.0 branch to master
merging 1.1.0 which is passing all builds on travis
fixed travis badge
Fixed gsl dependency issue
Bring fork up to date
fixed gsl dependency issue
Here are some of my data structures for usage with GIST data and a short working example.
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Hi Kamran,
here are the recent changes I made to the longrange Eww routines. Now SiteWaterAnalysis can handle any set of shell radii and also any kind of shell candidate atoms, although the latter is not heavily tested. In terms of speed, the improvements are small for low number of shells, but should grow the more shells you add.
Tobias