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ENH: Added monoatomic object and updated applications.

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This commit is contained in:
graham
2011-07-04 20:22:50 +01:00
parent d3ddb37480
commit e675839a21
19 changed files with 1748 additions and 311 deletions
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86
applications/utilities/preProcessing/mdInitialise/mdInitialise.C
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@ -28,6 +28,7 @@ Description
#include "fvCFD.H"
#include "polyatomicCloud.H"
#include "monoatomicCloud.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -50,11 +51,15 @@ int main(int argc, char *argv[])
)
);
IOdictionary idListDict
word polyCloudName("polyatomicCloud");
const dictionary& polyDict(mdInitialiseDict.subDict(polyCloudName));
IOdictionary polyIdListDict
(
IOobject
(
"idList",
polyCloudName + "_idList",
mesh.time().constant(),
mesh,
IOobject::NO_READ,
@ -62,17 +67,15 @@ int main(int argc, char *argv[])
)
);
word cloudName("polyatomicCloud");
potential pot
potential polyPot
(
mesh,
mdInitialiseDict,
polyDict,
IOdictionary
(
IOobject
(
cloudName + "Properties",
polyCloudName + "Properties",
mesh.time().constant(),
mesh,
IOobject::MUST_READ_IF_MODIFIED,
@ -80,27 +83,72 @@ int main(int argc, char *argv[])
false
)
),
idListDict
polyIdListDict
);
polyatomicCloud molecules(cloudName, mesh, pot, mdInitialiseDict);
polyatomicCloud poly
(
polyCloudName,
mesh,
polyPot,
polyDict
);
label totalMolecules = molecules.size();
if (Pstream::parRun())
{
reduce(totalMolecules, sumOp<label>());
}
Info<< nl << "Total number of molecules added: " << totalMolecules
Info<< nl << returnReduce(poly.size(), sumOp<label>()) << " added to "
<< poly.name()
<< nl << endl;
IOstream::defaultPrecision(15);
word monoCloudName("monoatomicCloud");
const dictionary& monoDict(mdInitialiseDict.subDict(monoCloudName));
IOdictionary monoIdListDict
(
IOobject
(
monoCloudName + "_idList",
mesh.time().constant(),
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
)
);
potential monoPot
(
mesh,
monoDict,
IOdictionary
(
IOobject
(
monoCloudName + "Properties",
mesh.time().constant(),
mesh,
IOobject::MUST_READ_IF_MODIFIED,
IOobject::NO_WRITE,
false
)
),
monoIdListDict
);
monoatomicCloud mono
(
monoCloudName,
mesh,
monoPot,
monoDict
);
Info<< nl << returnReduce(mono.size(), sumOp<label>()) << " added to "
<< mono.name()
<< nl << endl;
if (!mesh.write())
{
FatalErrorIn(args.executable())
<< "Failed writing polyatomicCloud."
<< "Failed writing."
<< nl << exit(FatalError);
}