Skip to content

Conversation

@thesamriel
Copy link
Contributor

Description

This PR allows the user to compute 3-body with the Axilrod-Teller-Muto potential.
For now, it can only be used in combination with the AutoPas container.
Furthermore, it is only usable as a "correction" in combination with the usual Lennard-Jones potential.

It can be enabled via the CMake option ENABLE_THREE_BODY=ON
Note: The ATM potential can only be used with the AoS datalayout so far.

How Has This Been Tested?

  • I added a version of the Argon example, which uses the aforementioned 3-body potential.

Documentation

  • The responsible readXML() documents how to use the feature.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants