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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 @@ +<HTML +><HEAD +><TITLE +></TITLE +><META +NAME="GENERATOR" +CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK +REL="NEXT" +TITLE="Bibliography" +HREF="bibliography.html"></HEAD +><BODY +CLASS="ARTICLE" +BGCOLOR="#FFFFFF" +TEXT="#000000" +LINK="#0000FF" +VLINK="#840084" +ALINK="#0000FF" +><DIV +CLASS="ARTICLE" +><DIV +CLASS="SECT1" +><H1 +CLASS="SECT1" +><A +NAME="JOELIB.DESCRIPTOR" +></A +>Descriptor</H1 +><DIV +CLASS="SECT2" +><H2 +CLASS="SECT2" +><A +NAME="JOELIB.DESCRIPTORS.AUTOCORRELATION" +></A +>Moreau-Broto topological autocorrelation</H2 +><P +>Moreau-Broto topological autocorrelation [<A +HREF="bibliography.html#BMV84" +>bmv84</A +>]. +<DIV +CLASS="EQUATION" +><A +NAME="AEN8" +></A +><P +><B +>Equation 1. Moreau-Broto autocorrelation</B +></P +><DIV +CLASS="MEDIAOBJECT" +><P +><IMG +SRC="formulas/autocorrelation.gif" +ALIGN="CENTER"></P +></DIV +></DIV +> +where <SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>d<SUB +>ij</SUB +></B +></SPAN +> is the topological distance between the atoms +<SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>i</B +></SPAN +> and atom <SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>j</B +></SPAN +>, <SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>w<SUB +>i</SUB +></B +></SPAN +> +and <SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>w<SUB +>j</SUB +></B +></SPAN +> are the atom properties of the atoms <SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>i</B +></SPAN +> and +<SPAN +CLASS="bold" +><B +CLASS="EMPHASIS" +>j</B +></SPAN +>.</P +><P +>It must be mentioned that the autocorrelation is only a special case of the radial distribution function ().</P +></DIV +></DIV +></DIV +><DIV +CLASS="NAVFOOTER" +><HR +ALIGN="LEFT" +WIDTH="100%"><TABLE +SUMMARY="Footer navigation table" +WIDTH="100%" +BORDER="0" +CELLPADDING="0" +CELLSPACING="0" +><TR +><TD +WIDTH="33%" +ALIGN="left" +VALIGN="top" +> </TD +><TD +WIDTH="34%" +ALIGN="center" +VALIGN="top" +> </TD +><TD +WIDTH="33%" +ALIGN="right" +VALIGN="top" +><A +HREF="bibliography.html" +ACCESSKEY="N" +>Next</A +></TD +></TR +><TR +><TD +WIDTH="33%" +ALIGN="left" +VALIGN="top" +> </TD +><TD +WIDTH="34%" +ALIGN="center" +VALIGN="top" +> </TD +><TD +WIDTH="33%" +ALIGN="right" +VALIGN="top" +>Bibliography</TD +></TR +></TABLE +></DIV +></BODY +></HTML +>
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