CylindricalGlobalPotential (Node)

Create a cylindrical global potential affecting all atoms
Context Generation
Name Required? No
Branches

Overview

The CylindricalGlobalPotential node allows an additional, global potential with cylindrical shape to be defined in a configuration, acting on all atoms and in a specified direction.

Options

Definition

Keyword Arguments Default Description
Potential Function1D Functional form and associated parameters for the potential.
Origin Vec3<double> 0.0 0.0 0.0 Coordinate origin of the potential.
Fractional bool false Whether the coordinate origin is specified in fractional cell coordinates.
Vector Vec3<double> 0.0 0.0 1.0 Cylindrical vector along which the potential acts.
Last modified October 30, 2024: feat: TR module added (#1956) (fe192b8)