Class EvolverClass

• Defined in File evolverclass.hpp

Class Documentation

class EvolverClass

Public Functions

inline EvolverClass(SystemClass &system)

inline ~EvolverClass()

template<typename T>
inline void add_force(const std::string &name, T &parameters)

inline void delete_force(const std::string &name)

template<typename T>
inline void set_property(const std::string &name, T &parameters)

inline std::vector<std::map<std::string, std::string>> get_force_info(void)

inline std::map<std::string, std::map<std::string, std::string>> get_minimizer_info(void)

inline std::map<std::string, std::map<std::string, std::string>> get_integrator_info(void)

void reset_mesh_forces(void)

void compute_mesh_forces(void)

void reset_mesh_energy(void)

void compute_mesh_energy(void)

void add_integrator(const std::string&, std::map<std::string, std::string>&)

void delete_integrator(const std::string&)

void set_time_step(const std::string&)

void set_global_temperature(const std::string&)

void add_minimizer(const std::string&, std::map<std::string, std::string>&)

void delete_minimizer(const std::string&)

void minimize(void)

void add_constraints(const std::string&, std::map<std::string, std::string>&)

void enforce_mesh_constraints(void)

void delete_constraints(const std::string&)

void set_max_iter_mesh_contraint(const std::string&)

void reset_mesh_stresses(void)

void compute_mesh_stresses(void)

void reset_mesh_atom_stresses(void)

void compute_mesh_atom_stresses(void)

void evolve_mesh_md(const int&)

std::map<std::string, int> evolve_mesh_mc(const int&)

void evolve_mesh_prestep(const std::string&)

void evolve_mesh_poststep(const std::string&)

void evolve_mesh_prestep(void)

void evolve_mesh_poststep(void)

Public Members

int max_iter_mesh_contraint = 100

bool has_vertex_forces

bool has_face_forces

bool has_edge_forces

SystemClass &_system

reference to system class where the box and particles are stored

std::map<std::string, ComputeForceClass_ptr> mesh_force_list

list of all the pointer to the forces

std::map<std::string, IntegratorClass_ptr> mesh_integrator_list

list of all the pointer to the md integrators

std::map<std::string, MonteCarloIntegrator_ptr> mesh_integrator_montecarlo_list

list of all the pointer to the mc intergators

std::map<std::string, ConstraintClass_ptr> mesh_constraints_list

list of all the pointer to the constrainnts

std::map<std::string, MinimizerClass_ptr> mesh_minimizer_list

list of all the pointer to the constrainnts