FEASST
v0.15.0
  • README
  • Tutorial
  • Plugins
    • Utilities
    • Math
    • Configuration
    • System
    • Monte Carlo
      • Tutorial
        • Canonical ensemble Monte Carlo
        • Grand canonical ensemble Monte Carlo
      • FEASST plugin dependencies
      • API
        • Tunable
        • Stepper
        • Rosenbluth
        • Acceptance
        • TrialSelect
        • TrialSelectBond
        • TrialSelectAngle
        • TrialSelectParticle
        • Perturb
        • PerturbVolume
        • PerturbMove
        • PerturbDistance
        • PerturbTranslate
        • Criteria
        • TrialStage
        • TrialCompute
        • TrialComputeVolume
        • TrialComputeRemove
        • TrialComputeAdd
        • Trial
        • TrialFactory
        • Analyze
        • AnalyzeFactory
        • Modify
        • ModifyFactory
        • MonteCarlo
        • SeekNumParticles
        • monte_carlo/include/trials
        • TrialComputeMove
        • monte_carlo/include/trial_move
        • Constraint
        • ConstrainNumParticles
        • Metropolis
        • PerturbRotate
        • PerturbAnywhere
        • PerturbAdd
        • PerturbRemove
        • PerturbDistanceAngle
    • Example
    • Models
    • Steppers
    • Flat histogram
    • Patch
    • Mayer
    • XTC
    • Chain
    • Shape
    • Confinement
    • Ewald
    • Optimized Lennard-Jones
    • Threads
    • Plugins in development
  • pyFEASST
  • Forcefield
  • Contact
  • Contributing
  • Acknowledgement
  • Citation
FEASST
National Institute of Standards and Technology
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  • Plugins »
  • Monte Carlo

Monte Carlo¶

Monte Carlo randomly samples the system using trials which may be accepted or rejected according to the acceptance criteria.

../../_images/monte_carlo.svg

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 flat histogram.

Tutorial¶

  • Canonical ensemble Monte Carlo
  • Grand canonical ensemble Monte Carlo

FEASST plugin dependencies¶

  • System

API¶

  • Tunable
  • Stepper
  • Rosenbluth
  • Acceptance
  • TrialSelect
  • TrialSelectBond
  • TrialSelectAngle
  • TrialSelectParticle
  • Perturb
  • PerturbVolume
  • PerturbMove
  • PerturbDistance
  • PerturbTranslate
  • Criteria
  • TrialStage
  • TrialCompute
  • TrialComputeVolume
  • TrialComputeRemove
  • TrialComputeAdd
  • Trial
  • TrialFactory
  • Analyze
  • AnalyzeFactory
  • Modify
  • ModifyFactory
  • MonteCarlo
  • SeekNumParticles
  • monte_carlo/include/trials
  • TrialComputeMove
  • monte_carlo/include/trial_move
  • Constraint
  • ConstrainNumParticles
  • Metropolis
  • PerturbRotate
  • PerturbAnywhere
  • PerturbAdd
  • PerturbRemove
  • PerturbDistanceAngle
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