SelectCluster

class SelectCluster : public feasst::TrialSelect

Select a random particle. Find all particles which interact with any of the sites on the selection via full potential (default) or a given reference potential.

Public Functions

SelectCluster(const argtype &args = argtype())

args:

void select_cluster(const int first_particle, const System &system, Select *select)

Return a cluster as selection given one particle in the system.

bool are_constraints_satisfied(const System &system) const

Return true if constraints are satisfied.

std::vector<Select> select_clusters(const System &system)

Return a list of selections representing individual cluster.

void precompute(System *system)

Precompute quantities before simulation for optimization.

bool select(const Select &perturbed, System *system, Random *random)

Parameters
  • perturbed: Perturbed is included to allow chaining of selection based on previous.

Perform the selection as implemented in the derived class. Return false if the selection cannot be made. Otherwise, return true.