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.
Why even have molecular simulations in the first place? Inspired by the second figure in Allen and Tildesley:
Tutorial
FEASST plugin dependencies
API
- Constraint
- ConstrainNumParticles
- Perturb
- Action
- RemoveModify
- WriteCheckpoint
- ConstrainVolumeByCutoff
- Acceptance
- Run
- TrialCompute
- TrialComputeMove
- Remove
- WriteModelParams
- PerturbMove
- Criteria
- TrialComputeAddRemove
- TrialSelect
- TrialSelectAll
- TrialSelectParticle
- TrialSelectBond
- TrialSelectAngle
- TrialSelectDihedral
- RefPotential
- TrialComputeVolume
- PerturbAddRemove
- AlwaysReject
- TrialComputeTranslate
- RemoveTrial
- TrialComputeRemove
- MonteCarlo
- Tunable
- RemoveAnalyze
- PerturbVolume
- Metropolis
- Stepper
- Analyze
- Modify
- ModifyFactory
- PerturbRemove
- TrialStage
- Trial
- TrialMove
- TrialVolume
- TrialFactory
- TrialTransfer
- TrialAdd
- TrialTranslate
- TrialAddRemove
- TrialRotate
- TrialRemove
- AnalyzeFactory
- TrialComputeAdd
- OptPotential
- PerturbTranslate
- PerturbDistance
- PerturbDistanceAngle
- PerturbDihedral
- PerturbRotate
- PerturbAnywhere
- PerturbAdd
- Rosenbluth