Harmonic

class hoomd.md.mesh.bond.Harmonic(mesh)

Bases: MeshPotential

Harmonic bond potential.

Parameters:

mesh (hoomd.mesh.Mesh) – Mesh data structure constraint.

Harmonic computes forces, virials, and energies on all mesh bonds in mesh with the harmonic potential (see hoomd.md.bond.Harmonic).

Example:

harmonic = hoomd.md.mesh.bond.Harmonic(mesh)
harmonic.params["mesh"] = dict(k=10.0, r0=1.0)

---

Members inherited from AutotunedObject:

property kernel_parameters

Kernel parameters. Read more...

property is_tuning_complete

Check if kernel parameter tuning is complete. Read more...

tune_kernel_parameters()

Start tuning kernel parameters. Read more...

---

Members inherited from Force:

additional_energy

Additional energy term. Read more...

additional_virial

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

cpu_local_force_arrays

Local force arrays on the CPU. Read more...

energies

Energy contribution \(U_i\) from each particle. Read more...

energy

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

forces

The force \(\vec{F}_i\) applied to each particle. Read more...

gpu_local_force_arrays

Local force arrays on the GPU. 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 Harmonic:

params

The parameter of the harmonic bonds for the defined mesh. The mesh type name defaults to “mesh”. The dictionary has the following keys:

• k (float, required) - potential constant \([\mathrm{energy} \cdot \mathrm{length}^{-2}]\)

• r0 (float, required) - rest length \([\mathrm{length}]\)

Type:

TypeParameter[mesh name,dict]