ComputeRxVB

class ComputeRxVB : public feasst::TrialComputeMove

Public Functions

ComputeRxVB(argtype args = argtype())

args:

• forward: true if forward rxn, otherwise reverse rxn.

• target_particle_type

• particle_type

• target_particle_type_morph

• particle_type_morph

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

Perform the Perturbations and determine acceptance.