MayerSampling

class MayerSampling : public feasst::Criteria

Mayer-sampling Monte Carlo acceptance criteria (see https://doi.org/10.1103/PhysRevLett.92.220601).

Extrapolation in temperature is performed as descirbed in: https://doi.org/10.1063/1.5016165 .

The coefficients for the Taylor series extrapolation are written to file and include the division by factorial.

Arguments

• num_trials_per_iteration: define an iteration as a number of trials (as measured by number of calls to is_accepted) default: 1e9.

• intra_potential: index of intramolecular potential that will be used to select the move. Ignore if -1 (default: -1).

• num_beta_taylor: number of derivatives of second virial ratio with respect to beta. (default: 0).

• Criteria arguments.