TrialSelect

class TrialSelect

Select the mobile particles and sites that are to be perturbed via trials. Store the original position in mobile_original for reverting. Also store the ‘anchor’ particles and sites which are not mobile but may be required to complete the perturbation (e.g., bonds).

Subclassed by feasst::SelectCluster, feasst::SelectNothing, feasst::SelectParticleAVB, feasst::SelectParticleAVBDivalent, feasst::SelectParticlePivot, feasst::SelectPerturbed, feasst::SelectSiteOfType, feasst::SelectTwoSites, feasst::TrialSelectAll, feasst::TrialSelectBond, feasst::TrialSelectParticle

Arguments

  • group_index: index of group defined within system (default: 0).

  • group: name of group defined within system (default: “”).

  • particle_type: type of particle in configuration (default: -1)

  • configuration_index: index of configuration (default: 0).