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BUG: discrete tut tweaks and fixes to make them run.

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This commit is contained in:
graham
2010-10-08 20:34:59 +01:00
parent 9eb1ae7307
commit f2842e76b9
16 changed files with 280 additions and 89 deletions
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4
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean
View File

@ -7,7 +7,7 @@ cd ${0%/*} || exit 1 # run from this directory
(
cd periodicCubeArgon || exit
rm -rf 0/*
rm -rf 0/lagrangian 0/uniform
rm -f Ar-Ar
rm -f electrostatic
rm -f constant/idList
@ -19,7 +19,7 @@ cd ${0%/*} || exit 1 # run from this directory
(
cd periodicCubeWater || exit
rm -rf 0/*
rm -rf 0/lagrangian 0/uniform
rm -f O-O
rm -f electrostatic
rm -f constant/idList

51
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/0/U Normal file
View File

@ -0,0 +1,51 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.com |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [ 0 1 -1 0 0 0 0 ];
internalField uniform ( 0 0 0 );
boundaryField
{
periodicX_half0
{
type cyclic;
}
periodicY_half0
{
type cyclic;
}
periodicZ_half0
{
type cyclic;
}
periodicY_half1
{
type cyclic;
}
periodicZ_half1
{
type cyclic;
}
periodicX_half1
{
type cyclic;
}
}
// ************************************************************************* //

61
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/blockMeshDict
View File

@ -34,29 +34,50 @@ blocks
hex (0 1 2 3 4 5 6 7) liquid (12 12 12) simpleGrading (1 1 1)
);
patches
boundary
(
cyclic
periodicX
(
(1 2 6 5)
(0 4 7 3)
)
periodicX_half0
{
type cyclic;
faces ((1 2 6 5));
neighbourPatch periodicX_half1;
}
cyclic
periodicY
(
(2 3 7 6)
(0 1 5 4)
)
periodicX_half1
{
type cyclic;
faces ((0 4 7 3));
neighbourPatch periodicX_half0;
}
cyclic
periodicZ
(
(0 3 2 1)
(4 5 6 7)
)
)
periodicY_half0
{
type cyclic;
faces ((2 3 7 6));
neighbourPatch periodicY_half1;
}
periodicY_half1
{
type cyclic;
faces ((0 1 5 4));
neighbourPatch periodicY_half0;
}
periodicZ_half0
{
type cyclic;
faces ((4 5 6 7));
neighbourPatch periodicZ_half1;
}
periodicZ_half1
{
type cyclic;
faces ((0 3 2 1));
neighbourPatch periodicZ_half0;
}
);
mergePatchPairs
(

2
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/controlDict
View File

@ -22,7 +22,7 @@ startTime 0;
stopAt endTime;
endTime 1e-10;
endTime 5e-11;
deltaT 1e-14;

51
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/0/U Normal file
View File

@ -0,0 +1,51 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.com |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [ 0 1 -1 0 0 0 0 ];
internalField uniform ( 0 0 0 );
boundaryField
{
periodicX_half0
{
type cyclic;
}
periodicY_half0
{
type cyclic;
}
periodicZ_half0
{
type cyclic;
}
periodicY_half1
{
type cyclic;
}
periodicZ_half1
{
type cyclic;
}
periodicX_half1
{
type cyclic;
}
}
// ************************************************************************* //

61
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict
View File

@ -34,29 +34,50 @@ blocks
hex (0 1 2 3 4 5 6 7) liquid (12 12 11) simpleGrading (1 1 1)
);
patches
boundary
(
cyclic
periodicX
(
(1 2 6 5)
(0 4 7 3)
)
periodicX_half0
{
type cyclic;
faces ((1 2 6 5));
neighbourPatch periodicX_half1;
}
cyclic
periodicY
(
(2 3 7 6)
(0 1 5 4)
)
periodicX_half1
{
type cyclic;
faces ((0 4 7 3));
neighbourPatch periodicX_half0;
}
cyclic
periodicZ
(
(0 3 2 1)
(4 5 6 7)
)
)
periodicY_half0
{
type cyclic;
faces ((2 3 7 6));
neighbourPatch periodicY_half1;
}
periodicY_half1
{
type cyclic;
faces ((0 1 5 4));
neighbourPatch periodicY_half0;
}
periodicZ_half0
{
type cyclic;
faces ((4 5 6 7));
neighbourPatch periodicZ_half1;
}
periodicZ_half1
{
type cyclic;
faces ((0 3 2 1));
neighbourPatch periodicZ_half0;
}
);
mergePatchPairs
(

4
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict
View File

@ -22,13 +22,13 @@ startTime 0;
stopAt endTime;
endTime 5e-12;
endTime 2e-13;
deltaT 1e-15;
writeControl runTime;
writeInterval 2e-13;
writeInterval 5e-14;
purgeWrite 0;