CalculateDistance (Node)

Overview

The CalculateDistance node calculates the distance, in Angstroms, between two provided sites $i$ and $j$, which are referenced from Select nodes.

Description

CalculateDistance is one of several calculation nodes that determine and store a numerical result, ready for retrieval and use by other nodes in a procedure.

CalculateDistance determines the distance $i$-$j$ between the selected sites $i$ and $j$, obeying the minimum image convention if the encompassing box is periodic. The resulting value is measured in Angstroms.

Options

Sites

Keyword	Arguments	Default	Description
I	Select	–	Site that represents $i$ in the distance $i$-$j$, taken from the named Select node.
J	Select	–	Site that represents $j$ in the distance $i$-$j$, taken from the named Select node.