New descriptors and faster Insight loading#110
New descriptors and faster Insight loading#110matteobecchi merged 45 commits intoGMPavanLab:mainfrom
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andrewtarzia
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Mostly minor changes - great work @matteobecchi
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Addition: a "delay" parameter to the LENS functions, analogously to timeSOAP. |
SimoneMartino98
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all ok for me; just a question / doubt on the convention used for the documentation; maybe it's a silly one, feel free to ignore me.
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For future reference: apparently, tSOAP and orientational order parameter are particularly sensitive to numerical errors. tSOAP because it's a sum of products of hundreds of terms, sometimes very small. Orientational OP probably because summing complex numbers along the unitary circle, they can be of the order of 1 but their sum very small if they are randomly distributed. |
Related Issues: #108
Requested Reviewers: @andrewtarzia
Three main things:
I think I changed all the related examples and documentation accordingly.