Class ComputeMesh#
Defined in File computemesh.hpp
Class Documentation#
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class ComputeMesh
Class responsible for various mesh computations.
This class offers a variety of mesh-related calculations, ranging from vertex normals to mesh energy and stresses. It operates on a provided system of type
SystemClass.Energy and Force Measures
Provides methods to compute various energy, force, and stress-related properties for the mesh.
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std::map<std::string, real> compute_mesh_energy(EvolverClass&)
Computes the total energy of the mesh.
- Parameters:
evolver – Reference to the evolver object.
- Returns:
A map containing different energy components and their respective values.
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pymemb::vector<real3> compute_vertex_forces(EvolverClass&)
Computes forces on each vertex in the mesh.
- Parameters:
evolver – Reference to the evolver object.
- Returns:
A vector containing force vectors for each vertex.
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realTensor compute_stresses(EvolverClass&, const bool&)
Computes the stress tensors for the mesh.
- Parameters:
evolver – Reference to the evolver object.
flag – see cpp for more detail.
- Returns:
Stress tensor for the mesh.
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realTensor get_stresses(EvolverClass&, const bool&)
Retrieves the stress tensors for the mesh.
- Parameters:
evolver – Reference to the evolver object.
flag – see cpp for more detail.
- Returns:
Stress tensor for the mesh.
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std::vector<real> compute_pressure(EvolverClass&)
Computes the pressure for the mesh using the provided evolver.
- Parameters:
evolver – Reference to the evolver object.
- Returns:
Vector containing pressure values.
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realTensor compute_kinetic_energy_tensor(void)
Computes the kinetic energy tensor for the mesh.
- Returns:
Kinetic energy tensor for the mesh.
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real compute_kinetic_energy(void)
Computes the total kinetic energy of the mesh.
- Returns:
Total kinetic energy of the mesh.
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real compute_temperature(void)
Computes the temperature based on the current state of the mesh.
- Returns:
Temperature of the mesh.
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realTensor compute_stresses_virial(EvolverClass &evolver, const bool &computeForAllAtoms)
Computes the virial stresses for the mesh.
- Parameters:
evolver – Reference to the evolver object guiding the mesh’s evolution.
computeForAllAtoms – Flag to determine whether to compute stresses for all atoms or a subset. Replace with actual flag description.
- Returns:
Virial stress tensor for the mesh.
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std::vector<realTensor> compute_stresses_atom(EvolverClass &evolver, const bool &computeForAllAtoms)
Computes the stresses for each atom in the mesh.
- Parameters:
evolver – Reference to the evolver object guiding the mesh’s evolution.
computeForAllAtoms – Flag to determine whether to compute stresses for all atoms or a subset. Replace with actual flag description.
- Returns:
Vector of stress tensors, one for each atom.
Public Functions
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inline ComputeMesh(SystemClass &system)
Constructor that initializes the compute mesh with a system.
- Parameters:
system – Reference to the system on which the computations will be made.
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void compute_vertex_normals(bool vertex_normal_angle_weight = false)
Computes the normals for each vertex in the mesh.
- Parameters:
vertex_normal_angle_weight – Flag to determine if the vertex normal should be angle weighted. Default is false.
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void compute_face_normals(void)
Computes the normals for each face in the mesh.
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pymemb::vector<real> compute_edge_lengths(void)
Computes the length of each edge in the mesh.
- Returns:
A vector containing lengths for each edge.
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real gaussiancurvature_vertex(const int &vertex_index)
Computes the Gaussian curvature at the vertex.
Computes the Gaussian curvature for the mesh.
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real meancurvature_vertex(const int &vertex_index)
Computes the mean curvature at the vertex.
Computes the mean curvature for the mesh.
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pymemb::vector<pymemb::vector<real>> compute_face_metric(void)
Computes metrics related to each face in the mesh.
- Returns:
A vector containing metrics for each face.
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real compute_mesh_volume(void)
Computes the total volume of the mesh.
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pymemb::vector<real> compute_face_area(void)
Computes the area of each face in the mesh.
- Returns:
A vector containing areas for each face.
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real compute_mesh_area(void)
Computes the total surface area of the mesh.
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std::map<std::string, real> compute_mesh_energy(EvolverClass&)