metadynamics Documentation

Welcome to the documentation for the HOOMD-blue metadynamics plugin !

Metadynamics is a technique to measure free energy surfaces (FES) using an adaptive bias potential.

Usage:

To load the plugin in HOOMD-blue, use

from hoomd_plugins import metadynamics

anywhere in your script file before using one of the below commands.

The following additional script commands are available from this plugin:

Table of contents:

• Integrate
• Collective variables

Integrate

• integrate.mode_metadynamics - Metadynamics Integration

Collective variables

• cv.lamellar - Lamellar order parameter for phase transitions in block copolymers

Author: Jens Glaser jglas.nosp@m.er@u.nosp@m.mn.ed.nosp@m.u