CalculateDistance (Node)
Calculate distance between two sites
| Context | Analysis |
| Name Required? | Yes |
| Branches | – |
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. |