PerturbCrankshaftSmall

class PerturbCrankshaftSmall : public feasst::PerturbRotate

A more efficient version of PerturbCrankshaft for small molecules.

Public Functions

void move(const bool is_position_held, System *system, TrialSelect *select, Random *random, Acceptance *acceptance)

Set the pivot and axis of rotation by the anchors. Select rotation angle randomly, bounded by tunable parameter.