Node Reference

Details on all available procedure nodes

Here you can find a list of all available node types for use in procedures.

Add (Node)

Insert molecules into a box

AddPair (Node)

Insert correlated molecule pair into a box

Angle (Node)

Calculate angle between three sites

AxisAngle (Node)

Calculate angle between axes on two oriented sites

Box (Node)

Define / create a unit cell

CalculateDistance (Node)

Calculate distance between two sites

CalculateExpression (Node)

Calculate distance between two sites

CalculateVector (Node)

Calculate a vector between two sites

Collect1D (Node)

Accumulate a 1D histogram

Collect2D (Node)

Accumulate a 2D histogram

Collect3D (Node)

Accumulate a 3D histogram

CoordinateSets (Node)

Generate a population of molecules from a Species

Copy (Node)

Copy a configuration

CustomRegion (Node)

Constructs a custom region according to a specified equation

CylindricalRegion (Node)

Constructs a cylindrical region

DirectionalGlobalPotential (Node)

Create a directional global potential affecting all atoms

GeneralRegion (Node)

Constructs a general region

ImportCoordinates (Node)

Import coordinates into a configuration

IntegerCollect1D (Node)

Accumulate a 1D histogram of explicit integer values

Integrate1D (Node)

Perform integration on 1D data

OperateDivide (Node)

Perform division on numerical data

OperateExpression (Node)

Apply an expression to numerical data

OperateMultiply (Node)

Perform multiplication of numerical data

OperateNormalise (Node)

Perform normalisation of numerical data

OperateNumberDensityNormalise (Node)

Normalise data to the number density of target site(s)

OperateSitePopulationNormalise (Node)

Normalise data to the populations of target site(s)

OperateSphericalShellNormalise (Node)

Normalise 1D data to spherical shell volumes

Parameters (Node)

Store numerical reference parameters

Pick (Node)

Pick species molecules from anywhere inside a box

PickProximity (Node)

Pick species molecules near to other molecules

PickRegion (Node)

Pick species molecules from a specific region

Process1D (Node)

Process a 1D histogram

Process2D (Node)

Process a 2D histogram

Process3D (Node)

Process a 3D histogram

RegionalGlobalPotential (Node)

Create a discretized global potential affecting all atoms

Remove (Node)

Remove molecules from a box

RestraintPotential (Node)

Apply simple restraint potentials to individual atoms

RotateFragment (Node)

Rotate fragment sites about their local axes

Select (Node)

Select a list of pre-defined sites on molecules

SimpleGlobalPotential (Node)

Create a simple, global potential affecting all atoms

SizeFactor (Node)

Apply a size factor to a configuration

Sum1D (Node)

Sum 1D data over ranges

Temperature (Node)

Set the temperature of the configuration

Transmute (Node)

Transmute molecules in a selection into another species

Last modified February 24, 2023: Docs 1.0 (#1221) (6f6c04b7e)