Rotator

class Rotator

Arguments

• unique_tolerance: tolerance to determine uniqueness based on positions (default: 1e-5);

• contact_tolerance: contact distance tolerance (default: 1e-4).

• num_proc: number of processors (default: 1).

• proc: index of processor (default: 0).

• hard_limit_u: potential energy that is considered contact. A user may set to positive values. By default, it is set to 1e10, which uses an objective function specificly for the HardSphere Potential.