SelectParticlePivot

class SelectParticlePivot : public feasst::TrialSelect

Random selection a whole particle of given type to pivot. Exclude the pivot site from the mobile selection for optimized energy calc.

Public Functions

void precompute(System *system)

Precompute quantities before simulation for optimization.

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

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.

Arguments

• pivot_site: the site name to use as the center of the rotation. By default, the pivot site is the first site listed in the particle.