59 const label molId = mol().id();
61 scalar molMass(molecules.constProps(molId).mass());
75 const label molId = mol().id();
77 const molecule::constantProperties cP(molecules.constProps(molId));
79 scalar molMass(cP.mass());
81 const diagTensor& molMoI(cP.momentOfInertia());
83 const vector& molV(mol().v());
87 vector molPiGlobal = mol().Q() & mol().pi();
111 if (Pstream::parRun())
136 Info<<
"Number of molecules in system = "
138 <<
"Overall number density = "
140 <<
"Overall mass density = "
142 <<
"Average linear momentum per molecule = "
145 <<
"Average angular momentum per molecule = "
148 <<
"Maximum |velocity| = "
150 <<
"Average linear KE per molecule = "
152 <<
"Average angular KE per molecule = "
154 <<
"Average PE per molecule = "
156 <<
"Average TE per molecule = "
176 Info<<
"No molecules in system" <<
endl;
#define forAllConstIter(Container, container, iter)
Iterate across all elements in the container object of type.
scalar singleStepTotalMass
vector singleStepTotalLinearMomentum(Zero)
scalar singleStepTotalrDotf
scalar singleStepMaxVelocityMag
scalar singleStepTotalLinearKE
vector singleStepTotalAngularMomentum(Zero)
scalar singleStepTotalAngularKE
dimensionedScalar tr(const dimensionedSphericalTensor &dt)
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.
Ostream & endl(Ostream &os)
Add newline and flush stream.
DiagTensor< scalar > diagTensor
A scalar version of the templated DiagTensor.
Vector< scalar > vector
A scalar version of the templated Vector.
void reduce(const List< UPstream::commsStruct > &comms, T &Value, const BinaryOp &bop, const int tag, const label comm)
dimensioned< scalar > mag(const dimensioned< Type > &)
dimensionedSphericalTensor inv(const dimensionedSphericalTensor &dt)
dimensioned< scalar > magSqr(const dimensioned< Type > &)