Volume¶

class hoomd.md.mesh.conservation.Volume(mesh, ignore_type=False)¶

Volume conservation potential.

Parameters:

mesh (hoomd.mesh.Mesh) – Mesh data structure.
ignore_type (bool, optional) – ignores mesh type if set to True and calculates the conservation energy considering all triangles in the mesh. Defaults to False.

Volume specifies a volume constraint on the whole mesh surface:

\[U(r) = k \frac{( V(r) - V_0 )^2}{2 \cdot V_0}\]

Example:

volume = hoomd.md.mesh.conservation.Volume(mesh)
volume.params["mesh"] = dict(k=10.0, V0=100)

Members inherited from AutotunedObject:

property is_tuning_complete¶: Check if kernel parameter tuning is complete. Read more...

Members inherited from Force:

additional_virial¶: Additional virial tensor term \(W_\mathrm{additional}\). Read more...

energy¶: The potential energy \(U\) of the system from this force. Read more...

torques¶: The torque \(\vec{\tau}_i\) applied to each particle. Read more...

virials¶: Virial tensor contribution \(W_i\) from each particle. Read more...

Members inherited from MeshPotential:

mesh¶: Mesh data structure used to compute the bond potential. Read more...

Members defined in Volume:

parameter¶

The parameter of the volume constraint for the defined mesh. The dictionary has the following keys:

k (float, required) - potential constant \([\mathrm{energy} \cdot \mathrm{length}^{-3}]\)
V0 (float, required) - target volume \([\mathrm{length}^{3}]\)

property volume¶

Volume of the mesh triangulation.

(Loggable: category=”scalar”)