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(argtype args = argtype())

args:

• neighbor_index: NeighborCriteria index contained in Configuration (default: 0).

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 int old, 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)

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

param perturbed:

Perturbed is included to allow chaining of selection based on previous.