TriangleArea

class hoomd.md.mesh.conservation.TriangleArea(mesh)

Bases: MeshPotential

Triangle Area conservation potential.

Parameters:

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

TriangleArea specifies an area conservation energy by applying an area constraint to each triangle of the mesh.

$$U(r) = k \sum_{i,j,k \in \mathrm{mesh{ }triangle}} \frac{( N_\mathrm{tri} \cdot A_{ijk} - A_0 )^2} {2 \cdot A_0 \cdot N_\mathrm{tri}}$$

The potential sums over the area $A_{ijk}$ of all triplets $i$, $j$ and $k$ that make up a triangle in the mesh. The number of triangles in the mesh are symbolized by $N_\mathrm{tri}$.

Example:

tringle_area_conservation_potential = \
    hoomd.md.mesh.conservation.TriangleArea(mesh)
tringle_area_conservation_potential.params["mesh"] = dict(k=10.0, A0=250)

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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...

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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...

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Members inherited from MeshPotential:

mesh

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

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Members defined in TriangleArea:

parameter

The parameter of the triangle area conservation for each mesh type. The dictionary has the following keys:

• k (float, required) - area conservation coefficient $[\mathrm{energy} \cdot \mathrm{length}^{-2}]$

• A0 (float, required) - target surface area of a single triangle in the mesh $[\mathrm{length}]^2$

Type:

TypeParameter[dict]

property area

Area of the mesh triangulation.

(Loggable: category=”scalar”)