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
- Action
- Run
- Rosenbluth
- Acceptance
- Stepper
- Criteria
- Metropolis
- Constraint
- ConstrainNumParticles
- TrialSelect
- Tunable
- Perturb
- PerturbMove
- PerturbDistance
- PerturbDistanceAngle
- PerturbDihedral
- PerturbRotate
- PerturbTranslate
- PerturbAnywhere
- PerturbRemove
- PerturbAdd
- TrialStage
- PerturbVolume
- TrialSelectBond
- TrialSelectAngle
- TrialSelectDihedral
- TrialSelectAll
- TrialSelectParticle
- TrialCompute
- TrialComputeMove
- TrialComputeTranslate
- TrialComputeVolume
- Trial
- TrialVolume
- TrialMove
- TrialRotate
- TrialAdd
- TrialFactory
- SeekNumParticles
- TrialTransfer
- Analyze
- AnalyzeFactory
- Modify
- ModifyFactory
- MonteCarlo
- TrialComputeAdd
- TrialComputeRemove
- TrialRemove
- TrialTranslate