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)
void reduce(const List< UPstream::commsStruct > &comms, T &value, const BinaryOp &bop, const int tag, const label comm)
Reduce inplace (cf. MPI Allreduce) using specified communication schedule.
messageStream Info
Information stream (stdout output on master, null elsewhere)
scalar singleStepMaxVelocityMag
scalar singleStepTotalLinearKE
vector singleStepTotalLinearMomentum(Zero)
dimensioned< typename typeOfMag< Type >::type > magSqr(const dimensioned< Type > &dt)
scalar singleStepTotalAngularKE
static constexpr const zero Zero
Global zero (0)