Join systems

Description

This function joins two systems by one of their sides, as specified by the Sides to join input. The following conventions are applied:

  • In the direction perpendicular to the selected Sides to join, the two systems are separated by a distance defined by the Buffer between systems input.

  • In the other two directions, the geometric center of the second system is aligned with the midpoint of the first system. The midpoint is calculated as the average of the maximum and minimum coordinates.

  • The first system is always shifted so that its minimum coordinates in every direction are at 0.

No checks are made on atom proximity. If the original systems have atoms outside the cell, they might overlap with atoms from the other system. It is the user’s responsibility to ensure that no overlaps occur.

sof join systems

Latest version

Allowed number of parents: 2

  1. Parent system

  2. System to be joint

Parameter Description Value type Value restrictions Default value Units

Sides to join

The sides by which the two systems shall be joined together

selector

“xy top”, “xy bottom”, “xz right”, “xz left”, “yz front”, “yz back”

xy top

N/A

Buffer between systems

The buffer that shall be added between the two systems

float

≥0

0.0

Angstrom