60 for (
const molecule& mol : molecules)
62 const label molId = mol.id();
64 scalar molMass(molecules.constProps(molId).mass());
76 for (
const molecule& mol : molecules)
78 const label molId = mol.id();
80 const molecule::constantProperties cP(molecules.constProps(molId));
82 scalar molMass(cP.mass());
84 const diagTensor& molMoI(cP.momentOfInertia());
86 const vector& molV(mol.v());
88 const vector molOmega(
inv(molMoI) & mol.pi());
90 vector molPiGlobal = mol.Q() & mol.pi();
114 if (Pstream::parRun())
139 Info<<
"Number of molecules in system = " 141 <<
"Overall number density = " 143 <<
"Overall mass density = " 145 <<
"Average linear momentum per molecule = " 148 <<
"Average angular momentum per molecule = " 151 <<
"Maximum |velocity| = " 153 <<
"Average linear KE per molecule = " 155 <<
"Average angular KE per molecule = " 157 <<
"Average PE per molecule = " 159 <<
"Average TE per molecule = " 179 Info<<
"No molecules in system" <<
endl;
scalar singleStepTotalrDotf
vector singleStepTotalAngularMomentum(Zero)
DiagTensor< scalar > diagTensor
DiagTensor of scalars, i.e. DiagTensor<scalar>.
dimensioned< typename typeOfMag< Type >::type > mag(const dimensioned< Type > &dt)
dimensionedSphericalTensor inv(const dimensionedSphericalTensor &dt)
constexpr char nl
The newline '\n' character (0x0a)
Ostream & endl(Ostream &os)
Add newline and flush stream.
scalar singleStepTotalMass
dimensionedScalar tr(const dimensionedSphericalTensor &dt)
messageStream Info
Information stream (stdout output on master, null elsewhere)
scalar singleStepMaxVelocityMag
scalar singleStepTotalLinearKE
vector singleStepTotalLinearMomentum(Zero)
void reduce(T &value, const BinaryOp &bop, const int tag=UPstream::msgType(), const label comm=UPstream::worldComm)
Reduce inplace (cf. MPI Allreduce) using linear/tree communication schedule.
dimensioned< typename typeOfMag< Type >::type > magSqr(const dimensioned< Type > &dt)
scalar singleStepTotalAngularKE
static constexpr const zero Zero
Global zero (0)