Add (Node)
Insert molecules into a box
Node Reference
Details on all available procedure nodes
Here you can find a list of all available node types for use in procedures.
AddPair (Node)
Insert correlated molecule pair into a box
Box (Node)
Define / create a unit cell
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
CylindricalGlobalPotential (Node)
Create a cylindrical global potential affecting all atoms
CylindricalRegion (Node)
Constructs a cylindrical region
GeneralRegion (Node)
Constructs a general region
ImportCoordinates (Node)
Import coordinates into a configuration
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
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
SizeFactor (Node)
Apply a size factor to a configuration
SphericalGlobalPotential (Node)
Create a spherical, global potential affecting all atoms
Temperature (Node)
Set the temperature of the configuration
Transmute (Node)
Transmute molecules in a selection into another species