From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/docs/feature/Autocorrelation.html | 168 +++++++++++++++++++++++++++++++++ 1 file changed, 168 insertions(+) create mode 100644 java/docs/feature/Autocorrelation.html (limited to 'java/docs/feature/Autocorrelation.html') diff --git a/java/docs/feature/Autocorrelation.html b/java/docs/feature/Autocorrelation.html new file mode 100644 index 0000000..53fe464 --- /dev/null +++ b/java/docs/feature/Autocorrelation.html @@ -0,0 +1,168 @@ +

Descriptor

Moreau-Broto topological autocorrelation

Moreau-Broto topological autocorrelation [bmv84]. +

Equation 1. Moreau-Broto autocorrelation

+where d_ij is the topological distance between the atoms +i and atom j, w_i +and w_j are the atom properties of the atoms i and +j.

It must be mentioned that the autocorrelation is only a special case of the radial distribution function ().

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