Class ComputeVertexHarmonicEnergy#

Inheritance Relationships#

Base Type#

Class Documentation#

class ComputeVertexHarmonicEnergy : public ComputeForceClass

Implements methods to compute the harmonic contribution to the edge energy.

Calculates harmonic energy of the edge using: \( E_{harm} = \frac{1}{2} m_k \left( l - l_0 \right) \) where \( m_k \) is the spring constant, \( l_0 \) is length of unstretched bond and \( l \) is current edge length.

Public Functions

inline ComputeVertexHarmonicEnergy(SystemClass &system)
inline ~ComputeVertexHarmonicEnergy()
inline virtual void set_default_properties(void) override

Set property.

inline virtual void set_property(std::map<std::string, std::map<std::string, std::string>> &region_map) override
inline virtual std::map<std::string, std::string> get_info(void) override

Get the type object.

Returns:

std::string

virtual void compute_energy(void) override

compute energy for the actual configuration

Parameters:

void –

Returns:

void

virtual void compute(void) override

compute force for the actual configuration

Parameters:

void –

Returns:

void

virtual real compute_edge_energy(int) override

compute the energy in a given edge

Parameters:

edge –

Returns:

real

virtual real compute_vertex_energy(int) override

compute the energy in a vertex edge

Parameters:

face –

Returns:

real

virtual void compute_stress(void) override

compute force for the actual configuration

Parameters:

void –

Returns:

void

virtual void compute_atomic_stress(void) override

compute force for the actual configuration

Parameters:

void –

Returns:

void

inline void set_property(std::map<std::string, std::map<std::pair<std::string, std::string>, std::string>> &region_map)
inline void set_property(std::map<std::string, std::map<std::string, std::string>> &region_map)
inline void set_property(std::map<std::string, std::string> &region_map)