57 IDLList<molecule>::iterator mol(molecules.begin());
61 mol = molecules.begin();
62 mol != molecules.end();
66 label molId = mol().id();
68 scalar molMass(molecules.constProps(molId).mass());
82 mol = molecules.begin();
83 mol != molecules.end();
87 label molId = mol().id();
89 const molecule::constantProperties cP(molecules.constProps(molId));
91 scalar molMass(cP.mass());
93 const diagTensor& molMoI(cP.momentOfInertia());
95 const vector& molV(mol().v());
99 vector molPiGlobal = mol().Q() & mol().pi();
119 singleStepDOFs += cP.degreesOfFreedom();
123 if (Pstream::parRun())
143 reduce(singleStepDOFs, sumOp<label>());
148 Info<<
"Number of molecules in system = "
150 <<
"Overall number density = "
152 <<
"Overall mass density = "
154 <<
"Average linear momentum per molecule = "
157 <<
"Average angular momentum per molecule = "
160 <<
"Maximum |velocity| = "
162 <<
"Average linear KE per molecule = "
164 <<
"Average angular KE per molecule = "
166 <<
"Average PE per molecule = "
168 <<
"Average TE per molecule = "
188 Info<<
"No molecules in system" <<
endl;