public class Sam extends Simulation
eventManager, random, seeds, space
Constructor | Description |
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Sam() |
Modifier and Type | Method | Description |
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void |
findTetherBonds() |
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double |
getChainPhi(int iChain) |
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double |
getChainPsi() |
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double |
getChainTheta() |
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int |
getNumXCells() |
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int |
getNumZCells() |
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static void |
main(java.lang.String[] args) |
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void |
setChainLength(int newChainLength) |
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void |
setChainPhi(int iChain,
double newPhi) |
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void |
setChainPsi(double newPsi) |
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void |
setChainTheta(double newTheta) |
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void |
setNumXCells(int newNumXCells) |
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void |
setNumZCells(int newNumZCells) |
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protected void |
updateConformation(int iChain) |
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protected void |
updateRCut() |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
addBox, addSpecies, box, getBox, getBoxCount, getBoxes, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, getSpeciesList, makeBox, makeBox, makeUniqueElementSymbol, removeBox, setRandom, species
public final P1Sinusoidal p1SurfaceBond
public final double sinusoidalB
public final P2Harmonic p2SurfaceBond
public final double harmonicStrength
public SpeciesGeneral species
public SpeciesGeneral speciesSurface
public Box box
public IntegratorVelocityVerletSAM integrator
public IMoleculePositionDefinition positionDefinition
public P1WCAWall wallPotential
public ConfigurationSAM config
public P2LennardJones p2CH2
public P2LennardJones p2CH3
public P2LennardJones p2CH2CH3
public P2LennardJones p2S
public P2LennardJones p2SCH2
public P2SoftSphericalTruncatedSwitched p2CH2t
public P2SoftSphericalTruncatedSwitched p2CH3t
public P2SoftSphericalTruncatedSwitched p2CH2CH3t
public P2SoftSphericalTruncatedSwitched p2St
public P2SoftSphericalTruncatedSwitched p2SCH2t
public P2Harmonic p2BondCC
public P2Harmonic p2BondCS
public P3BondAngle p3Bond
public P4BondTorsion p4BondCCCC
public P4BondTorsion p4BondCCCS
public PotentialGroup p1Intra
public P2SoftSphericalTruncatedSwitched p2SulfurSurfaceLJ
public P2SoftSphericalTruncatedSwitched p2CH2Surface
public CriterionTether3 criterion3
public int chainLength
public double chainTheta
public double chainPsi
public double[] chainPhi
public double bondL_CC
public double bondTheta
public PotentialCalculationForceSumWall forceSum
public PotentialMasterList potentialMaster
public int numZCells
public int numXCells
public double sizeCellZ
public double sizeCellX
public double sigmaCH2
public static void main(java.lang.String[] args)
protected void updateConformation(int iChain)
public double getChainTheta()
public void setChainTheta(double newTheta)
public double getChainPsi()
public void setChainPsi(double newPsi)
public void setChainPhi(int iChain, double newPhi)
public double getChainPhi(int iChain)
public void findTetherBonds()
public int getNumZCells()
public void setNumZCells(int newNumZCells)
public int getNumXCells()
public void setNumXCells(int newNumXCells)
protected void updateRCut()
public void setChainLength(int newChainLength)