45 specialPosition_(vector::zero),
46 potentialEnergy_(0.0),
55 if (is.format() == IOstream::ASCII)
64 is >> specialPosition_;
67 special_ = readLabel(is);
74 reinterpret_cast<char*>(&Q_),
80 +
sizeof(specialPosition_)
81 +
sizeof(potentialEnergy_)
87 is >> siteForces_ >> sitePositions_;
94 "Foam::molecule::molecule"
95 "(const Cloud<molecule>& cloud, Foam::Istream&), bool"
158 label np = mC.
size();
215 specialPosition[i] = mol.specialPosition_;
216 special[i] = mol.special_;
219 piGlobal[i] = mol.Q_ & mol.pi_;
220 tauGlobal[i] = mol.Q_ & mol.tau_;
222 orientation1[i] = mol.Q_ &
vector(1,0,0);
223 orientation2[i] = mol.Q_ &
vector(0,1,0);
224 orientation3[i] = mol.Q_ &
vector(0,0,1);
234 specialPosition.write();
241 orientation1.write();
242 orientation2.write();
243 orientation3.write();
259 os << token::SPACE << static_cast<const Particle<molecule>&>(mol)
277 os << static_cast<const Particle<molecule>&>(mol);
280 reinterpret_cast<const char*>(&mol.Q_),
286 +
sizeof(mol.specialPosition_)
287 +
sizeof(mol.potentialEnergy_)
289 +
sizeof(mol.special_)
292 os << mol.siteForces_ << mol.sitePositions_;
298 "Foam::Ostream& Foam::operator<<"
299 "(Foam::Ostream&, const Foam::molecule&)"