36 #ifndef moleculeCloud_H
37 #define moleculeCloud_H
59 public Cloud<molecule>
81 void buildConstProps();
83 void setSiteSizesAndPositions();
86 void buildCellOccupancy();
88 void calculatePairForce();
90 inline void evaluatePair
96 inline void evaluatePair
102 inline bool evaluatePotentialLimit
108 inline bool evaluatePotentialLimit
114 void calculateTetherForce();
116 void calculateExternalForce();
118 void removeHighEnergyOverlaps();
120 void initialiseMolecules
127 const point& position,
132 const vector& bulkVelocity
135 label nSites()
const;
137 inline vector equipartitionLinearVelocity
143 inline vector equipartitionAngularMomentum
196 const scalar targetTemperature,
197 const scalar measuredTemperature