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.
Configuration
Control
Keyword | Arguments | Default | Description |
---|---|---|---|
I |
name |
– | Site that represents $i$ in the distance $i$-$j$, taken from the name d
Select
node. |
J |
name |
– | Site that represents $j$ in the distance $i$-$j$, taken from the name d
Select
node. |
Last modified March 10, 2023: Web docs styling (#1350) (43924dc)