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/GraphPotentials.html | 131 +++++++++++++++++++++++++++++++++ 1 file changed, 131 insertions(+) create mode 100644 java/docs/feature/GraphPotentials.html (limited to 'java/docs/feature/GraphPotentials.html') diff --git a/java/docs/feature/GraphPotentials.html b/java/docs/feature/GraphPotentials.html new file mode 100644 index 0000000..a192e96 --- /dev/null +++ b/java/docs/feature/GraphPotentials.html @@ -0,0 +1,131 @@ +

Descriptor

Graph potentials

Graph potentials [wy96] or rotational symmetry descriptor. Only the connection table +is needed to calculate the external rotational symmetry, or topological equivalent atoms. +

Equation 1. Graph potentials

+where v_i is the valence (vertex degree) of the atom +i.

		Next
		Bibliography

\ No newline at end of file -- cgit v1.2.3