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