Helfrich¶
- class hoomd.md.mesh.bending.Helfrich(mesh)¶
Bases:
MeshPotentialHelfrich bending potential.
- Parameters:
mesh (
hoomd.mesh.Mesh) – Mesh data structure constraint.
Helfrichspecifies a Helfrich bending energy applied to all particles within the mesh.\[U(i) = \frac{1}{2} k \frac{1}{\sigma_i}\left( \sum_{j \in \mathrm{Neigh}(i)} \frac{\sigma_{ij}}{l_{ij}} (\mathbf{r}_j - \mathbf{r}_k) \right)^2\]with the area of the dual cell of vertex i \(\sigma_i=(\sum_{j \in \mathrm{Neigh}(i)}\sigma_{ij})/4\), the length of the bond in the dual lattice \(\sigma_{ij}= r_{ij}(\text{cot}\theta_1+\text{cot}\theta_2)/2\) and the angles \(\theta_1\) and \(\theta_2\) opposite to the shared bond of vertex \(i\) and \(j\).
See also
Attention
Helfrichis NOT implemented for MPI parallel execution!Example:
helfrich_potential = hoomd.md.mesh.bending.Helfrich(mesh) helfrich_potential.params["mesh"] = dict(k=10.0)
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
Helfrich: