ComputeRXVB

class ComputeRXVB : public feasst::TrialComputeMove

Public Functions

ComputeRXVB(argtype args = argtype())

args:

  • probability_avb: probability to attempt an AVB rxn (default: 0.5).

  • avb: true if AVB rxn, otherwise reverse rxn without AVB (default: true).

  • target_particle_type

  • particle_type

  • target_particle_type_morph

  • particle_type_morph

double probability_avb() const

Return the probability of an AVB rxn.

void perturb_and_acceptance(Criteria *criteria, System *system, Acceptance *acceptance, std::vector<TrialStage*> *stages, Random *random)

Perform the Perturbations and determine acceptance.