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ENH: Templated MolecularCloud.

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This commit is contained in:
graham
2011-07-04 16:17:52 +01:00
parent aaad626afe
commit d3ddb37480
20 changed files with 667 additions and 303 deletions
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4
applications/utilities/preProcessing/mdInitialise/Make/options
View File

@ -3,7 +3,6 @@ EXE_INC = \
-I$(LIB_SRC)/dynamicMesh/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecularMeasurements/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude
@ -13,6 +12,5 @@ EXE_LIBS = \
-lfiniteVolume \
-llagrangian \
-lmolecule \
-lpotential \
-lmolecularMeasurements
-lpotential

23
applications/utilities/preProcessing/mdInitialise/mdInitialise.C
View File

@ -62,11 +62,28 @@ int main(int argc, char *argv[])
)
);
potential pot(mesh, mdInitialiseDict, idListDict);
word cloudName("polyatomicCloud");
polyatomicCloud molecules(mesh, pot, mdInitialiseDict);
potential pot
(
mesh,
mdInitialiseDict,
IOdictionary
(
IOobject
(
cloudName + "Properties",
mesh.time().constant(),
mesh,
IOobject::MUST_READ_IF_MODIFIED,
IOobject::NO_WRITE,
false
)
),
idListDict
);
Info<< "Cloud is called " << molecules.name() << endl;
polyatomicCloud molecules(cloudName, mesh, pot, mdInitialiseDict);
label totalMolecules = molecules.size();