TriangleArea¶
- class hoomd.md.mesh.conservation.TriangleArea(mesh)¶
Bases:
MeshPotentialTriangle Area conservation potential.
- Parameters:
mesh (
hoomd.mesh.Mesh) – Mesh data structure.
TriangleAreaspecifies 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)
Members inherited from
AutotunedObject:- property kernel_parameters¶
Kernel parameters.
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- property is_tuning_complete¶
Check if kernel parameter tuning is complete.
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- tune_kernel_parameters()¶
Start tuning kernel parameters.
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Members inherited from
Force:- additional_energy¶
Additional energy term.
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- additional_virial¶
Additional virial tensor term \(W_\mathrm{additional}\).
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- cpu_local_force_arrays¶
Local force arrays on the CPU.
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- energies¶
Energy contribution \(U_i\) from each particle.
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- energy¶
The potential energy \(U\) of the system from this force.
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- forces¶
The force \(\vec{F}_i\) applied to each particle.
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- gpu_local_force_arrays¶
Local force arrays on the GPU.
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- torques¶
The torque \(\vec{\tau}_i\) applied to each particle.
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- virials¶
Virial tensor contribution \(W_i\) from each particle.
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Members inherited from
MeshPotential:- mesh¶
Mesh data structure used to compute the bond potential.
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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: