Box (Node)

Define / create a unit cell
Context Generation
Name Required? No
Branches

Overview

The Box node creates a unit cell for the current configuration.

Description

The sole purpose of the Box node is to set the geometry of the unit cell (box) for the current configuration.

Options

Definition

Keyword Arguments Default Description
Angles alpha
beta
gamma
90.0
90.0
90.0
Box angles $\alpha$, $\beta$, and $\gamma$.
Lengths lx
ly
lz
1.0
1.0
1.0
Box lengths. These may be absolute or relative lengths.
NonPeriodic bool false Whether the box is non-periodic.
Last modified October 30, 2024: feat: TR module added (#1956) (fe192b8)