etomica.paracetamol

Class MCParacetamolMonoclinicDLMULTISimCalcS

java.lang.Object

etomica.simulation.Simulation

etomica.paracetamol.MCParacetamolMonoclinicDLMULTISimCalcS

All Implemented Interfaces:

ISimulation

public class MCParacetamolMonoclinicDLMULTISimCalcS
extends Simulation

Three-dimensional soft-sphere MC simulation for paracetamol molecule using the potential model from DL_MULTI package with inclusion of multipole ewald-summation MC simulation of Paracetamol molecules in Form I (Monoclinic) with tabulation of the collective-coordinate S-matrix. No graphic display Monoclinic Crystal

Field Summary

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Constructor Summary

Constructors

Constructor and Description
MCParacetamolMonoclinicDLMULTISimCalcS(Space _space)

Method Summary

Modifier and Type	Method and Description
static void	main(java.lang.String[] args)

Methods inherited from class etomica.simulation.Simulation

addBox, addSpecies, atomTypeAddedNotify, atomTypeRemovedNotify, getBox, getBoxCount, getController, getEventManager, getIntegrator, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, makeUniqueElementSymbol, removeBox, removeSpecies, setRandom

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MCParacetamolMonoclinicDLMULTISimCalcS

public MCParacetamolMonoclinicDLMULTISimCalcS(Space _space)

Method Detail

main

public static void main(java.lang.String[] args)