Monte Carlo¶
Monte Carlo randomly samples the system using trials which may be accepted or rejected according to the acceptance criteria.
MonteCarlo contains System, acceptance Criteria, Trials and, finally, the usually infrequent Analyze and Modify between Trials.
System contains Configurations and Potentials.
Configurations contain Particles and the Domain.
The interaction Potentials contain Models and VisitModels.
The acceptance Criteria may be either Metropolis or FlatHistogram.
A Trial contains the following objects.
Tutorial¶
API¶
- Tunable
- Action
- Run
- Stepper
- Rosenbluth
- Acceptance
- Criteria
- Constraint
- ConstrainNumParticles
- Metropolis
- TrialSelect
- Perturb
- PerturbMove
- PerturbTranslate
- PerturbToAnchor
- TrialStage
- TrialCompute
- Trial
- TrialVolume
- TrialRemove
- TrialFactory
- Analyze
- AnalyzeFactory
- Modify
- ModifyFactory
- MonteCarlo
- SeekNumParticles
- TrialTransfer
- TrialAdd
- TrialComputeTranslate
- TrialComputeAdd
- TrialComputeRemove
- TrialComputeVolume
- TrialComputeMove
- TrialMove
- TrialRotate
- TrialTranslate
- PerturbVolume
- TrialSelectBond
- TrialSelectAngle
- TrialSelectDihedral
- TrialSelectParticle
- PerturbDistance
- PerturbDistanceAngle
- PerturbDihedral
- PerturbRotate
- PerturbAnywhere
- PerturbAdd
- PerturbRemove