Steppers

This plugin contains additional “Steppers” which include regular analysis and modification of the system between trial moves.

• AnalyzeData
• CriteriaUpdater
• NumParticles
• CheckPhysicality
• GhostTrialVolume
• Log
• ProfileCPU
• Chirality2D
• IncrementPhase
• SeekModify
• ReadConfigFromFile
• CheckProperties
• WrapParticles
• Movie
• WriteStepper
• Tune
• WallClockLimit
• Check
• CheckEnergy
• CriteriaWriter
• CPUTime
• DensityProfile
• PairDistributionInner
• Energy
• ExtensiveMoments
• Density
• Scattering
• SpecificEnergy
• HeatCapacity
• SpecificVolume
• MeanSquaredDisplacement
• Volume
• ProfileTrials

Tutorial

• Compare scattering calculations for hard spheres
• Post process scattering calculations from file.

FEASST plugin dependencies

• Monte Carlo