Trial
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class Trial
A trial contains a number of TrialStages. The Acceptance is computed as the stages are enacted, and then sent to Criteria to decide if the trial is accepted or rejected.
Subclassed by feasst::TrialAVB2Half, feasst::TrialAVB4, feasst::TrialAdd, feasst::TrialAddAVB, feasst::TrialAddAVBDivalent, feasst::TrialAddMultiple, feasst::TrialBeta, feasst::TrialFactory, feasst::TrialGibbsParticleTransferOneWay, feasst::TrialGibbsVolumeTransferOneWay, feasst::TrialGrowLinear, feasst::TrialModel, feasst::TrialMorph, feasst::TrialMorphExpanded, feasst::TrialMove, feasst::TrialRemove, feasst::TrialRemoveAVB, feasst::TrialRemoveAVBDivalent, feasst::TrialRemoveMultiple, feasst::TrialRotateCluster, feasst::TrialSwapSites, feasst::TrialTranslateCluster, feasst::TrialVolume
Arguments
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Trial(argtype args = argtype())
args:
weight: unnormalized relative probability of selection of this trial with respect to all trials (default: 1).
weight_per_number_fraction: if > 0, the weight is continuously updated to (weight_per_number_fraction * number of TrialSelect::particle_type in first TrialStage / total number of particles). If <= 0, the given weight above is fixed to that value (default: -1). For a multicomponent simulation, weight_per_number_fraction with a separate trial for each mobile particle_type ensures equal probability of selecting any particles of those types type regardless of the number of particles of each type, while still allowing for different tunable parameters for each particle_type.
number_fraction_exclude_type: if >= 0 (default: -1), exclude this particle type from the total number of fractions in weight_per_number_fraction. If there is a rigid particle type in the grand canonical ensemble, avoid changing the relative weight of translation vs insert/delete and breaking detailed balance.
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Trial(argtype args = argtype())