References and Equations

Metadynamics

This module implements the bias/penalty functions applied on the potential landscape during metadynamics

It deposit gaussian functions with a constant frequency, before the first half step of intergration or MC trial All deposited functions will penalize the system, with additional forces and energy

Only 2 collective variables are accepted

Only well-tempered metadynamics is implemented. The width of the gaussian function is fixed while the height of the gaussian function changes depending on whether a lot of local gaussian has already been deposited.