Commit c25546fd authored by graham's avatar graham
Browse files

recovered bad master merge

parents e17c195c ff899124
EXE_INC = \
-I$(LIB_SRC)/lagrangian/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/meshTools/lnInclude
......@@ -8,4 +9,5 @@ EXE_LIBS = \
-lmeshTools \
-lfiniteVolume \
-llagrangian \
-lmolecule
-lmolecule \
-lpotential
EXE_INC = \
-I$(LIB_SRC)/lagrangian/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/meshTools/lnInclude
......@@ -8,4 +9,5 @@ EXE_LIBS = \
-lmeshTools \
-lfiniteVolume \
-llagrangian \
-lmolecule
-lmolecule \
-lpotential
......@@ -3,7 +3,8 @@ EXE_INC = \
-I$(velocityDistributions) \
-I$(LIB_SRC)/meshTools/lnInclude \
-I$(LIB_SRC)/dynamicMesh/lnInclude \
-I$(LIB_SRC)/lagrangian/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude
......@@ -12,4 +13,5 @@ EXE_LIBS = \
-ldynamicMesh \
-lfiniteVolume \
-llagrangian \
-lmolecule
-lmolecule \
-lpotential
......@@ -5,4 +5,7 @@ wmake libso basic
wmake libso solidParticle
wmake libso intermediate
wmake libso dieselSpray
wmake libso molecule
wmake libso molecularDynamics/potential
wmake libso molecularDynamics/molecule
......@@ -12,9 +12,7 @@ referredCellList = referredCellList
referredCell = referredCell
referralLists = referralLists
potentials = potentials
pairPotential = $(potentials)/pairPotential
tetherPotential = $(potentials)/tetherPotential
tetherPotential = tetherPotential
$(distribution)/distribution.C
......@@ -42,11 +40,6 @@ $(moleculeCloud)/moleculeCloudIntegrateEquationsOfMotion.C
$(moleculeCloud)/moleculeCloudRemoveHighEnergyOverlaps.C
$(moleculeCloud)/moleculeCloudApplyConstraintsAndThermostats.C
$(pairPotential)/basic/pairPotential.C
$(pairPotential)/basic/pairPotentialList.C
$(tetherPotential)/tetherPotential.C
$(tetherPotential)/tetherPotentialList.C
$(referralLists)/receivingReferralList.C
$(referralLists)/sendingReferralList.C
$(referredCellList)/referredCellList.C
......
EXE_INC = \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude
EXE_LIBS = \
-lfiniteVolume \
-llagrangian
-llagrangian \
-lpotential
......@@ -123,7 +123,7 @@ public:
// Access
inline const label averagesTaken() const;
inline label averagesTaken() const;
inline label nBuffers() const;
......
......@@ -46,7 +46,7 @@ inline const Field<Type>& bufferedAccumulator<Type>::accumulationBuffer() const
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class Type>
inline const label bufferedAccumulator<Type>::averagesTaken() const
inline label bufferedAccumulator<Type>::averagesTaken() const
{
return averagesTaken_;
}
......
......@@ -141,13 +141,13 @@ public:
inline const Field< Field<Type> >& tZeroBuffers() const;
inline const scalar duration() const;
inline scalar duration() const;
inline const scalar sampleInterval() const;
inline scalar sampleInterval() const;
inline const scalar averagingInterval() const;
inline scalar averagingInterval() const;
inline const label sampleSteps() const;
inline label sampleSteps() const;
inline label measurandFieldSize() const;
......
......@@ -33,28 +33,28 @@ tZeroBuffers() const
template<class Type>
inline const scalar Foam::correlationFunction<Type>::duration() const
inline scalar Foam::correlationFunction<Type>::duration() const
{
return duration_;
}
template<class Type>
inline const scalar Foam::correlationFunction<Type>::sampleInterval() const
inline scalar Foam::correlationFunction<Type>::sampleInterval() const
{
return sampleInterval_;
}
template<class Type>
inline const scalar Foam::correlationFunction<Type>::averagingInterval() const
inline scalar Foam::correlationFunction<Type>::averagingInterval() const
{
return averagingInterval_;
}
template<class Type>
inline const label Foam::correlationFunction<Type>::sampleSteps() const
inline label Foam::correlationFunction<Type>::sampleSteps() const
{
return sampleSteps_;
}
......
......@@ -104,7 +104,7 @@ public:
// Access
inline const scalar binWidth() const;
inline scalar binWidth() const;
// Member Operators
......
......@@ -29,7 +29,7 @@ namespace Foam
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
inline const scalar distribution::binWidth() const
inline scalar distribution::binWidth() const
{
return binWidth_;
}
......
......@@ -79,5 +79,27 @@ if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
{
// hFacf.calculateCorrelationFunction();
IDLList<molecule>::iterator mol(molecules.begin());
vector s = vector::zero;
for
(
mol = molecules.begin();
mol != molecules.end();
++mol
)
{
s +=
(
0.5 * mol().mass() * magSqr(mol().U())
+
mol().potentialEnergy()
) * mol().U()
+
0.5 * ( mol().rf() & mol().U() );
}
hfacf.calculateCorrelationFunction(s);
}
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