public class MCParacetamolMonoclinicDLMULTI extends Simulation
Modifier and Type | Field and Description |
---|---|
ActivityIntegrate |
actionIntegrate |
BoundaryDeformableLattice |
bdry |
IBox |
box |
Controller |
controller |
CoordinateDefinitionParacetamol |
coordDef |
static int |
EQUILIBRATION |
IntegratorMC |
integrator |
BravaisLatticeCrystal |
lattice |
static int |
LATTICEHARMONIC |
MCMoveHarmonicStep |
mcMoveHarmonicStep |
MCMoveMolecule |
mcMoveMolecule |
MCMoveMoleculeCoupledDLPOLY |
mcMoveMoleculeCoupledDLPOLY |
MCMoveRotateMolecule3D |
mcMoveRotateMolecule |
static int |
MCSIMULATION |
IPotentialMaster |
potentialMaster |
PrimitiveMonoclinic |
primitive |
static int |
SIMCALCS |
int |
simType |
SpeciesParacetamol |
species |
eventManager, random, seeds, space
Constructor and Description |
---|
MCParacetamolMonoclinicDLMULTI(Space _space,
int numMolecules,
double temperature,
int simType,
int[] cellDim) |
Modifier and Type | Method and Description |
---|---|
static void |
main(java.lang.String[] args) |
addBox, addSpecies, atomTypeAddedNotify, atomTypeRemovedNotify, getBox, getBoxCount, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, makeUniqueElementSymbol, removeBox, removeSpecies, setRandom
public IBox box
public IntegratorMC integrator
public MCMoveMolecule mcMoveMolecule
public MCMoveRotateMolecule3D mcMoveRotateMolecule
public MCMoveHarmonicStep mcMoveHarmonicStep
public MCMoveMoleculeCoupledDLPOLY mcMoveMoleculeCoupledDLPOLY
public SpeciesParacetamol species
public Controller controller
public IPotentialMaster potentialMaster
public BravaisLatticeCrystal lattice
public BoundaryDeformableLattice bdry
public PrimitiveMonoclinic primitive
public CoordinateDefinitionParacetamol coordDef
public ActivityIntegrate actionIntegrate
public int simType
public static final int MCSIMULATION
public static final int EQUILIBRATION
public static final int SIMCALCS
public static final int LATTICEHARMONIC
public MCParacetamolMonoclinicDLMULTI(Space _space, int numMolecules, double temperature, int simType, int[] cellDim)