AddPair (Node)

Insert correlated molecule pair into a box


Context	Generation
Name Required?	No
Branches	–

Overview

The AddPair node is a companion to the Add node, but instead operates on a pair of species. The population refers to a population of pairs of species which are added at their current coordinates, then translated / rotated uniformly in order to maintain their relative coordinates.

Periodic species cannot be used by this node, nor can CoordinateSets .

Description

For full details on the possible options, see the Add node.

Options

Targets

Keyword	Arguments	Default	Description
`SpeciesA`	`name`	–	Required Target species A of the pair to add.
`SpeciesB`	`name`	–	Required Target species B of the pair to add.
`Density`	`expr` `DensityUnit`	`0.1 atoms/A3`	Density at which to add the target species. Note that the use of this value differs according to the selected `BoxAction` (see above).
`Population`	`expr`	`0`	Population of the pairs to add.

Box Modification

Keyword	Arguments	Default	Description
`BoxAction`	`BoxActionStyle`	`AddVolume`	Action to take on the Box geometry / volume on addition of the species
`ScaleA`	`bool`	`true`	Whether to scale the A cell axis when changing the cell volume.
`ScaleB`	`bool`	`true`	Whether to scale the B cell axis when changing the cell volume.
`ScaleC`	`bool`	`true`	Whether to scale the C cell axis when changing the cell volume.

Positioning

Keyword	Arguments	Default	Description
`Positioning`	`PositioningType`	`Random`	Positioning type for the pair.
`Region`	`name`	–	Region node controlling the location of inserted species into the configuration.
`Rotate`	`bool`	`true`	Whether to randomly rotate the molecule pair on insertion.

Last modified April 23, 2024: Update release notes. (70ff745)