Syntax:

metadynamics-bond <species1> <atom1> <species2> <atom2> <resolution> <energy-per-step> [<state-file>]

Description:

Perform metadynamics along bond between two atoms.

<species1> <atom1>: First atom selection by species name and 1-based index.
<species2> <atom2>: Second atom selection by species name and 1-based index.
<resolution>: Spatial resolution of bias potential in bohrs.
<energy-per-step>: Energy integral in Hartree-bohrs added to bias potential at each step.
<state-file>: Filename to load/save bias potential, if specified.

Note that the resolution controls both the grid spacing for the potential as well as the Gaussian smoothing of the energy kernel added at each step.

Requires: ion ionic-dynamics

Forbids: (None)

Allow multiple: no

Default: (None)