cluster/include/trial_avb2

namespace feasst

Functions

std::shared_ptr<Trial> MakeTrialAVB2Half(const argtype &args = argtype())

Attempt AVB2 in->out or out->in Only implemented for single-site particles TrialAVB2 below is recommended in most cases to ensure detailed-balance is satisfied. But this is used in special cases like Prefetch when avoiding TrialFactory.

args:

  • out_to_in: if true, use out->in. Otherwise, in->out.

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

std::shared_ptr<TrialFactory> MakeTrialAVB2(const argtype &args = argtype())

Attempt AVB2 in->out and out->in with equal probability. Only implemented for single-site particles See ComputeAVB2 for more information.

void gen_avb2_args_(const argtype &args, argtype *args_sel, argtype *args_mv, argtype *args_comp)