mirror of
https://develop.openfoam.com/Development/openfoam.git
synced 2025-11-28 03:28:01 +00:00
Merge branch 'master' of ssh://noisy/home/noisy3/OpenFOAM/OpenFOAM-dev
Conflicts: tutorials/mesh/snappyHexMesh/iglooWithFridges/system/snappyHexMeshDict
This commit is contained in:
henry
@ -1,8 +0,0 @@
|
||||
borg1
|
||||
borg2
|
||||
borg3
|
||||
borg4
|
||||
borg5
|
||||
borg6
|
||||
borg7
|
||||
borg8
|
||||
@ -1,163 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object blockMeshDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
convertToMeters 0.25e-9;
|
||||
|
||||
vertices
|
||||
(
|
||||
(0 0 0) //0
|
||||
(15 0 0)
|
||||
(15 3 0)
|
||||
(0 3 0)
|
||||
(0 0 12)
|
||||
(15 0 12)
|
||||
(15 3 12)
|
||||
(0 3 12) //7
|
||||
(22 0 0)
|
||||
(22 3 0)
|
||||
(22 0 12)
|
||||
(22 3 12) //11
|
||||
(31 0 0)
|
||||
(31 3 0)
|
||||
(31 0 12)
|
||||
(31 3 12) //15
|
||||
(20 9 0)
|
||||
(17 9 0)
|
||||
(20 9 12)
|
||||
(17 9 12) //19
|
||||
(0 9 0)
|
||||
(0 9 12) //21
|
||||
(31 9 0)
|
||||
(31 9 12) //23
|
||||
(17 18 0)
|
||||
(0 18 0)
|
||||
(17 18 12)
|
||||
(0 18 12) //27
|
||||
(31 18 0)
|
||||
(20 18 0)
|
||||
(31 18 12)
|
||||
(20 18 12) //31
|
||||
(17 21 0)
|
||||
(0 21 0)
|
||||
(17 21 12)
|
||||
(0 21 12) //35
|
||||
(31 21 0)
|
||||
(20 21 0)
|
||||
(31 21 12)
|
||||
(20 21 12) //39
|
||||
(17 25 0)
|
||||
(0 25 0)
|
||||
(17 25 12)
|
||||
(0 25 12) // 43
|
||||
(31 25 0)
|
||||
(20 25 0)
|
||||
(31 25 12)
|
||||
(20 25 12) // 47
|
||||
);
|
||||
|
||||
blocks
|
||||
(
|
||||
hex (0 1 2 3 4 5 6 7) bottomWall (15 3 6) simpleGrading (1 1 1) //1
|
||||
hex (1 8 9 2 5 10 11 6) bottomWall (3 3 6) simpleGrading (1 1 1) //2
|
||||
hex (2 9 16 17 6 11 18 19) bottomWall (3 6 6) simpleGrading (1 1 1) //3
|
||||
hex (8 12 13 9 10 14 15 11) bottomWall (9 3 6) simpleGrading (1 1 1) //4
|
||||
hex (3 2 17 20 7 6 19 21) liquid (15 6 6) simpleGrading (1 1 1) //5
|
||||
hex (20 17 24 25 21 19 26 27) liquid (15 9 6) simpleGrading (1 1 1) //6
|
||||
hex (25 24 32 33 27 26 34 35) liquid (15 3 6) simpleGrading (1 1 1) //6A
|
||||
hex (17 16 29 24 19 18 31 26) liquid (3 9 6) simpleGrading (1 1 1) //7
|
||||
hex (16 22 28 29 18 23 30 31) liquid (9 9 6) simpleGrading (1 1 1) //8
|
||||
hex (29 28 36 37 31 30 38 39) liquid (9 3 6) simpleGrading (1 1 1) //8A
|
||||
hex (9 13 22 16 11 15 23 18) liquid (9 6 6) simpleGrading (1 1 1) //9
|
||||
hex (33 32 40 41 35 34 42 43) topWall (15 3 6) simpleGrading (1 1 1) //10
|
||||
hex (32 37 45 40 34 39 47 42) topWall (3 3 6) simpleGrading (1 1 1) //11
|
||||
hex (24 29 37 32 26 31 39 34) topWall (3 3 6) simpleGrading (1 1 1) //12
|
||||
hex (37 36 44 45 39 38 46 47) topWall (9 3 6) simpleGrading (1 1 1) //13
|
||||
);
|
||||
|
||||
patches
|
||||
(
|
||||
cyclic
|
||||
periodicX
|
||||
(
|
||||
(0 4 7 3)
|
||||
(3 7 21 20)
|
||||
(20 21 27 25)
|
||||
(25 27 35 33)
|
||||
(33 35 43 41)
|
||||
(12 13 15 14)
|
||||
(13 22 23 15)
|
||||
(22 28 30 23)
|
||||
(28 36 38 30)
|
||||
(36 44 46 38)
|
||||
)
|
||||
|
||||
cyclic
|
||||
periodicZ
|
||||
(
|
||||
(0 3 2 1)
|
||||
(1 2 9 8)
|
||||
(8 9 13 12)
|
||||
(2 17 16 9)
|
||||
(2 3 20 17)
|
||||
(9 16 22 13)
|
||||
(17 20 25 24)
|
||||
(16 29 28 22)
|
||||
(16 17 24 29)
|
||||
(24 25 33 32)
|
||||
(28 29 37 36)
|
||||
(32 33 41 40)
|
||||
(36 37 45 44)
|
||||
(32 40 45 37)
|
||||
(24 32 37 29)
|
||||
(4 5 6 7)
|
||||
(5 10 11 6)
|
||||
(10 14 15 11)
|
||||
(6 11 18 19)
|
||||
(7 6 19 21)
|
||||
(11 15 23 18)
|
||||
(19 26 27 21)
|
||||
(18 23 30 31)
|
||||
(18 31 26 19)
|
||||
(26 34 35 27)
|
||||
(30 38 39 31)
|
||||
(34 42 43 35)
|
||||
(38 46 47 39)
|
||||
(34 39 47 42)
|
||||
(26 31 39 34)
|
||||
)
|
||||
|
||||
wall
|
||||
outerBoundaryBottom
|
||||
(
|
||||
(0 1 5 4)
|
||||
(1 8 10 5)
|
||||
(8 12 14 10)
|
||||
)
|
||||
|
||||
wall
|
||||
outerBoundaryTop
|
||||
(
|
||||
(40 41 43 42)
|
||||
(44 45 47 46)
|
||||
(40 42 47 45)
|
||||
)
|
||||
);
|
||||
|
||||
mergePatchPairs
|
||||
(
|
||||
);
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,46 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
solvers
|
||||
{
|
||||
p
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
U
|
||||
{
|
||||
solver PBiCG;
|
||||
preconditioner DILU;
|
||||
tolerance 1e-05;
|
||||
relTol 0;
|
||||
}
|
||||
}
|
||||
|
||||
PISO
|
||||
{
|
||||
nCorrectors 2;
|
||||
nNonOrthogonalCorrectors 0;
|
||||
pRefCell 0;
|
||||
pRefValue 0;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,64 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object molConfigDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
bottomWall
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( 0 0 0 );
|
||||
id Ar;
|
||||
mass 6.63352033e-26;
|
||||
latticeStructure FCC;
|
||||
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
|
||||
anchorSpecifies molecule;
|
||||
tethered yes;
|
||||
orientationAngles ( 30 0 0 );
|
||||
}
|
||||
|
||||
liquid
|
||||
{
|
||||
massDensity 1100;
|
||||
temperature 250;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( 245 0 0 );
|
||||
id Ne;
|
||||
mass 3.350996347e-26;
|
||||
latticeStructure SC;
|
||||
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
|
||||
anchorSpecifies molecule;
|
||||
tethered no;
|
||||
orientationAngles ( 45 0 0 );
|
||||
}
|
||||
|
||||
topWall
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 200;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( 0 0 0 );
|
||||
id Ar;
|
||||
mass 6.63352033e-26;
|
||||
latticeStructure BCC;
|
||||
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
|
||||
anchorSpecifies corner;
|
||||
tethered yes;
|
||||
orientationAngles ( 0 0 0 );
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,104 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object potentialDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
removalOrder 2 ( Ne Ar );
|
||||
|
||||
pair
|
||||
{
|
||||
Ar-Ar
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 1e-09;
|
||||
rMin 1.5e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 7.5;
|
||||
rm 3.756e-10;
|
||||
epsilon 1.990108438e-21;
|
||||
}
|
||||
|
||||
energyScalingFunction doubleSigmoid;
|
||||
doubleSigmoidCoeffs
|
||||
{
|
||||
shift1 9e-10;
|
||||
scale1 -64771072;
|
||||
shift2 9.7e-10;
|
||||
scale2 -259084288;
|
||||
}
|
||||
|
||||
writeTables yes;
|
||||
}
|
||||
|
||||
Ar-Ne
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 9e-10;
|
||||
rMin 1e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 4;
|
||||
rm 3.48e-10;
|
||||
epsilon 8.765026657e-22;
|
||||
}
|
||||
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables yes;
|
||||
}
|
||||
|
||||
Ne-Ne
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 8e-10;
|
||||
rMin 1e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 5;
|
||||
rm 3.0739e-10;
|
||||
epsilon 5.813260729e-22;
|
||||
}
|
||||
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables yes;
|
||||
}
|
||||
}
|
||||
|
||||
tether
|
||||
{
|
||||
Ar
|
||||
{
|
||||
tetherPotential restrainedHarmonicSpring;
|
||||
restrainedHarmonicSpringCoeffs
|
||||
{
|
||||
springConstant 0.1;
|
||||
rR 1.2e-09;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
external
|
||||
{
|
||||
gravity ( 0 0 0 );
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,46 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
solvers
|
||||
{
|
||||
p
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
U
|
||||
{
|
||||
solver PBiCG;
|
||||
preconditioner DILU;
|
||||
tolerance 1e-05;
|
||||
relTol 0;
|
||||
}
|
||||
}
|
||||
|
||||
PISO
|
||||
{
|
||||
nCorrectors 2;
|
||||
nNonOrthogonalCorrectors 0;
|
||||
pRefCell 0;
|
||||
pRefValue 0;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,64 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object molConfigDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
sectionA
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( -250 0 0 );
|
||||
id Ar;
|
||||
mass 6.63352033e-26;
|
||||
latticeStructure SC;
|
||||
anchor ( 0 0 0 );
|
||||
anchorSpecifies molecule;
|
||||
tethered no;
|
||||
orientationAngles ( 0 0 0 );
|
||||
}
|
||||
|
||||
sectionB
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( -250 0 0 );
|
||||
id Ne;
|
||||
mass 3.350917e-26;
|
||||
latticeStructure SC;
|
||||
anchor ( 0 0 0 );
|
||||
anchorSpecifies molecule;
|
||||
tethered no;
|
||||
orientationAngles ( 0 0 0 );
|
||||
}
|
||||
|
||||
sectionC
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( -250 0 0 );
|
||||
id Ar;
|
||||
mass 6.63352033e-26;
|
||||
latticeStructure SC;
|
||||
anchor ( 0 0 0 );
|
||||
anchorSpecifies molecule;
|
||||
tethered no;
|
||||
orientationAngles ( 0 0 0 );
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,86 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object potentialDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
removalOrder 1 ( Ar );
|
||||
|
||||
pair
|
||||
{
|
||||
Ar-Ar
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 1e-09;
|
||||
rMin 1.5e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 7.5;
|
||||
rm 3.756e-10;
|
||||
epsilon 1.990108438e-21;
|
||||
}
|
||||
|
||||
energyScalingFunction doubleSigmoid;
|
||||
doubleSigmoidCoeffs
|
||||
{
|
||||
shift1 9e-10;
|
||||
scale1 -64771072;
|
||||
shift2 9.7e-10;
|
||||
scale2 -259084288;
|
||||
}
|
||||
|
||||
writeTables no;
|
||||
}
|
||||
|
||||
Ar-Ne
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 9e-10;
|
||||
rMin 1e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 4;
|
||||
rm 3.48e-10;
|
||||
epsilon 8.765026657e-22;
|
||||
}
|
||||
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables no;
|
||||
}
|
||||
|
||||
Ne-Ne
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 8e-10;
|
||||
rMin 1e-10;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13;
|
||||
gamma 5;
|
||||
rm 3.0739e-10;
|
||||
epsilon 5.813260729e-22;
|
||||
}
|
||||
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables no;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -3,9 +3,20 @@
|
||||
# Source tutorial clean functions
|
||||
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
|
||||
|
||||
cd periodicCube
|
||||
rm -rf 0
|
||||
rm -rf Ar-Ar
|
||||
rm -rf constant/idList
|
||||
cd periodicCubeArgon
|
||||
rm -rf 0/*
|
||||
rm -f Ar-Ar
|
||||
rm -f electrostatic
|
||||
rm -f constant/idList
|
||||
rm -rf constant/polyMesh/sets
|
||||
cleanCase
|
||||
cd ..
|
||||
|
||||
cd periodicCubeWater
|
||||
rm -rf 0/*
|
||||
rm -f O-O
|
||||
rm -f electrostatic
|
||||
rm -f constant/idList
|
||||
rm -rf constant/polyMesh/sets
|
||||
cleanCase
|
||||
cd ..
|
||||
|
||||
@ -5,9 +5,14 @@
|
||||
|
||||
application="mdEquilibrationFoam"
|
||||
|
||||
cd periodicCube
|
||||
runApplication blockMesh
|
||||
runApplication molConfig
|
||||
runApplication $application
|
||||
cd ..
|
||||
# cd periodicCubeArgon
|
||||
# runApplication blockMesh
|
||||
# runApplication mdInitialise
|
||||
# runApplication $application
|
||||
# cd ..
|
||||
|
||||
cd periodicCubeWater
|
||||
runApplication blockMesh
|
||||
runApplication mdInitialise
|
||||
runApplication $application
|
||||
cd ..
|
||||
@ -1,46 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
solvers
|
||||
{
|
||||
p
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
U
|
||||
{
|
||||
solver PBiCG;
|
||||
preconditioner DILU;
|
||||
tolerance 1e-05;
|
||||
relTol 0;
|
||||
}
|
||||
}
|
||||
|
||||
PISO
|
||||
{
|
||||
nCorrectors 2;
|
||||
nNonOrthogonalCorrectors 0;
|
||||
pRefCell 0;
|
||||
pRefValue 0;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,34 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object molConfigDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
liquid
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
velocityDistribution maxwellian;
|
||||
bulkVelocity ( 0 0 0 );
|
||||
id Ar;
|
||||
mass 6.63352033e-26;
|
||||
latticeStructure SC;
|
||||
anchor ( 0 0 0 );
|
||||
anchorSpecifies molecule;
|
||||
tethered no;
|
||||
orientationAngles ( 0 0 0 );
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,65 +0,0 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object potentialDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
removalOrder 1 ( Ar );
|
||||
|
||||
pair
|
||||
{
|
||||
Ar-Ar
|
||||
{
|
||||
pairPotential azizChen;
|
||||
rCut 1.2e-09;
|
||||
rMin 1.5e-10;
|
||||
dr 2e-14;
|
||||
azizChenCoeffs
|
||||
{
|
||||
epsilon 1.97742255e-21;
|
||||
rm 3.759e-10;
|
||||
A 9502720;
|
||||
alpha 16.345655;
|
||||
C6 1.0914254;
|
||||
C8 0.6002595;
|
||||
C10 0.3700113;
|
||||
D 1.4;
|
||||
gamma 2;
|
||||
}
|
||||
|
||||
energyScalingFunction noScaling;
|
||||
writeTables yes;
|
||||
}
|
||||
}
|
||||
|
||||
tether
|
||||
{
|
||||
Ar
|
||||
{
|
||||
tetherPotential restrainedHarmonicSpring;
|
||||
restrainedHarmonicSpringCoeffs
|
||||
{
|
||||
springConstant 0.0277;
|
||||
rR 1.2e-09;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
external
|
||||
{
|
||||
gravity ( 0 0 0 );
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,36 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "constant";
|
||||
object moleculeProperties;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
Ar
|
||||
{
|
||||
siteIds (Ar);
|
||||
pairPotentialSiteIds (Ar);
|
||||
siteReferencePositions
|
||||
(
|
||||
(0 0 0)
|
||||
);
|
||||
siteMasses
|
||||
(
|
||||
6.63352033e-26
|
||||
);
|
||||
siteCharges
|
||||
(
|
||||
0
|
||||
);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,17 +1,25 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object blockMeshDict;
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object blockMeshDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
convertToMeters 2.462491658e-9;
|
||||
@ -61,4 +69,5 @@ mergePatchPairs
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,8 +1,8 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -2,7 +2,7 @@
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -10,7 +10,6 @@ FoamFile
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object controlDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
@ -45,5 +44,4 @@ runTimeModifiable yes;
|
||||
|
||||
adjustTimeStep no;
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,64 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object decomposeParDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
|
||||
numberOfSubdomains 2;
|
||||
|
||||
method simple;
|
||||
|
||||
simpleCoeffs
|
||||
{
|
||||
n (2 1 1);
|
||||
delta 0.001;
|
||||
}
|
||||
|
||||
hierarchicalCoeffs
|
||||
{
|
||||
n (1 1 1);
|
||||
delta 0.001;
|
||||
order xyz;
|
||||
}
|
||||
|
||||
metisCoeffs
|
||||
{
|
||||
processorWeights
|
||||
(
|
||||
1
|
||||
3
|
||||
);
|
||||
}
|
||||
|
||||
manualCoeffs
|
||||
{
|
||||
dataFile "";
|
||||
}
|
||||
|
||||
distributed no;
|
||||
|
||||
roots
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -17,43 +17,37 @@ FoamFile
|
||||
|
||||
ddtSchemes
|
||||
{
|
||||
default Euler;
|
||||
default none;
|
||||
}
|
||||
|
||||
gradSchemes
|
||||
{
|
||||
default Gauss linear;
|
||||
grad(p) Gauss linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
divSchemes
|
||||
{
|
||||
default none;
|
||||
div(phi,U) Gauss linear;
|
||||
}
|
||||
|
||||
laplacianSchemes
|
||||
{
|
||||
default none;
|
||||
laplacian(nu,U) Gauss linear corrected;
|
||||
laplacian(1|A(U),p) Gauss linear corrected;
|
||||
}
|
||||
|
||||
interpolationSchemes
|
||||
{
|
||||
default linear;
|
||||
interpolate(HbyA) linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
snGradSchemes
|
||||
{
|
||||
default corrected;
|
||||
default none;
|
||||
}
|
||||
|
||||
fluxRequired
|
||||
{
|
||||
default no;
|
||||
p ;
|
||||
}
|
||||
|
||||
|
||||
@ -11,11 +11,12 @@ FoamFile
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object mdEquilibrationDict;
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
equilibrationTargetTemperature 300;
|
||||
|
||||
solvers
|
||||
{
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,19 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object mdEquilibrationDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
equilibrationTargetTemperature 300.0;
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,44 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object molConfigDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Euler angles, expressed in degrees as phi, theta, psi, see
|
||||
// http://mathworld.wolfram.com/EulerAngles.html
|
||||
|
||||
liquid
|
||||
{
|
||||
massDensity 1220;
|
||||
temperature 300;
|
||||
bulkVelocity (0.0 0.0 0.0);
|
||||
latticeIds (Ar);
|
||||
tetherSiteIds ();
|
||||
latticePositions
|
||||
(
|
||||
(0 0 0)
|
||||
);
|
||||
anchor (0 0 0);
|
||||
orientationAngles (0 0 0);
|
||||
latticeCellShape (1 1 1);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,121 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
n| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object potentials;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Subdictionaries specifying types of intermolecular potential.
|
||||
// Sub-sub dictionaries specify the potentials themselves.
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Removal order
|
||||
|
||||
// This is the order in which to remove overlapping pairs if more than one
|
||||
// type of molecule is present. The most valuable molecule type is at the
|
||||
// right hand end, the molecule that will be removed 1st is 1st on the list.
|
||||
// Not all types need to be present, a molecule that is not present is
|
||||
// automatically less valuable than any on the list. For molecules of the
|
||||
// same type there is no control over which is removed.
|
||||
|
||||
removalOrder ( Ar );
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Potential Energy Limit
|
||||
|
||||
// Maximum permissible pair energy allowed at startup. Used to remove
|
||||
// overlapping molecules created during preprocessing.
|
||||
|
||||
potentialEnergyLimit 1e-18;
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Pair potentials
|
||||
|
||||
// If there are r different type of molecules, and a pair force is required
|
||||
// between all combinations, then there are C = r(r+1)/2 combinations,
|
||||
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
|
||||
|
||||
// Pair potentials are specified by the combinaition of their ids,
|
||||
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
|
||||
// (strictly OR, both or neither is an error)
|
||||
|
||||
pair
|
||||
{
|
||||
Ar-Ar
|
||||
{
|
||||
pairPotential maitlandSmith;
|
||||
rCut 1.0e-9;
|
||||
rMin 0.15e-9;
|
||||
dr 5e-14;
|
||||
maitlandSmithCoeffs
|
||||
{
|
||||
m 13.0;
|
||||
gamma 7.5;
|
||||
rm 0.3756e-9;
|
||||
epsilon 1.990108438e-21;
|
||||
}
|
||||
energyScalingFunction doubleSigmoid;
|
||||
doubleSigmoidCoeffs
|
||||
{
|
||||
shift1 0.9e-9;
|
||||
scale1 0.3e11;
|
||||
shift2 0.97e-9;
|
||||
scale2 1.2e11;
|
||||
}
|
||||
writeTables yes;
|
||||
}
|
||||
|
||||
electrostatic
|
||||
{
|
||||
pairPotential dampedCoulomb;
|
||||
rCut 1.0e-9;
|
||||
rMin 0.1e-9;
|
||||
dr 2e-12;
|
||||
dampedCoulombCoeffs
|
||||
{
|
||||
alpha 2e9;
|
||||
}
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables yes;
|
||||
}
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Tethering Potentials
|
||||
|
||||
tether
|
||||
{
|
||||
O
|
||||
{
|
||||
tetherPotential restrainedHarmonicSpring;
|
||||
restrainedHarmonicSpringCoeffs
|
||||
{
|
||||
springConstant 0.277;
|
||||
rR 1.2e-9;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// External Forces
|
||||
|
||||
// Bulk external forces (namely gravity) will be specified as forces rather
|
||||
// than potentials to allow their direction to be controlled.
|
||||
|
||||
external
|
||||
{
|
||||
gravity (0 0 0);
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,72 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "constant";
|
||||
object moleculeProperties;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
water
|
||||
{
|
||||
siteIds (H H O M);
|
||||
pairPotentialSiteIds (O);
|
||||
siteReferencePositions
|
||||
(
|
||||
(7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(-7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(0 0 0)
|
||||
(0 1.5e-11 0)
|
||||
);
|
||||
siteMasses
|
||||
(
|
||||
1.67353255e-27
|
||||
1.67353255e-27
|
||||
2.6560176e-26
|
||||
0
|
||||
);
|
||||
siteCharges
|
||||
(
|
||||
8.3313177324e-20
|
||||
8.3313177324e-20
|
||||
0
|
||||
-1.66626354648e-19
|
||||
);
|
||||
}
|
||||
|
||||
water2
|
||||
{
|
||||
siteIds (H2 H2 O M2);
|
||||
pairPotentialSiteIds (O);
|
||||
siteReferencePositions
|
||||
(
|
||||
(7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(-7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(0 0 0)
|
||||
(0 1.5e-11 0)
|
||||
);
|
||||
siteMasses
|
||||
(
|
||||
1.67353255e-27
|
||||
1.67353255e-27
|
||||
2.6560176e-26
|
||||
0
|
||||
);
|
||||
siteCharges
|
||||
(
|
||||
8.3313177324e-20
|
||||
8.3313177324e-20
|
||||
0
|
||||
-1.66626354648e-19
|
||||
);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,73 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object blockMeshDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
convertToMeters 2.10840e-9;
|
||||
|
||||
vertices
|
||||
(
|
||||
(-1 -1 -1)
|
||||
(1 -1 -1)
|
||||
(1 1 -1)
|
||||
(-1 1 -1)
|
||||
(-1 -1 1)
|
||||
(1 -1 1)
|
||||
(1 1 1)
|
||||
(-1 1 1)
|
||||
);
|
||||
|
||||
blocks
|
||||
(
|
||||
hex (0 1 2 3 4 5 6 7) liquid (12 12 11) simpleGrading (1 1 1)
|
||||
);
|
||||
|
||||
patches
|
||||
(
|
||||
cyclic
|
||||
periodicX
|
||||
(
|
||||
(1 2 6 5)
|
||||
(0 4 7 3)
|
||||
)
|
||||
|
||||
cyclic
|
||||
periodicY
|
||||
(
|
||||
(2 3 7 6)
|
||||
(0 1 5 4)
|
||||
)
|
||||
|
||||
cyclic
|
||||
periodicZ
|
||||
(
|
||||
(0 3 2 1)
|
||||
(4 5 6 7)
|
||||
)
|
||||
)
|
||||
|
||||
mergePatchPairs
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,8 +1,8 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -15,34 +15,29 @@ FoamFile
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
4
|
||||
3
|
||||
(
|
||||
periodicX
|
||||
{
|
||||
type cyclic;
|
||||
nFaces 288;
|
||||
startFace 10710;
|
||||
nFaces 264;
|
||||
startFace 4344;
|
||||
featureCos 0.9;
|
||||
}
|
||||
periodicY
|
||||
{
|
||||
type cyclic;
|
||||
nFaces 264;
|
||||
startFace 4608;
|
||||
featureCos 0.9;
|
||||
}
|
||||
periodicZ
|
||||
{
|
||||
type cyclic;
|
||||
nFaces 1296;
|
||||
startFace 10998;
|
||||
nFaces 288;
|
||||
startFace 4872;
|
||||
featureCos 0.9;
|
||||
}
|
||||
outerBoundaryBottom
|
||||
{
|
||||
type wall;
|
||||
nFaces 162;
|
||||
startFace 12294;
|
||||
}
|
||||
outerBoundaryTop
|
||||
{
|
||||
type wall;
|
||||
nFaces 162;
|
||||
startFace 12456;
|
||||
}
|
||||
)
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -2,7 +2,7 @@
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -10,7 +10,6 @@ FoamFile
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object controlDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
@ -21,13 +20,13 @@ startTime 0;
|
||||
|
||||
stopAt endTime;
|
||||
|
||||
endTime 3e-11;
|
||||
endTime 5e-12;
|
||||
|
||||
deltaT 1e-14;
|
||||
deltaT 1e-15;
|
||||
|
||||
writeControl runTime;
|
||||
|
||||
writeInterval 1e-12;
|
||||
writeInterval 2e-13;
|
||||
|
||||
purgeWrite 0;
|
||||
|
||||
@ -45,5 +44,4 @@ runTimeModifiable yes;
|
||||
|
||||
adjustTimeStep no;
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,40 +1,52 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object decomposeParDict;
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object decomposeParDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
|
||||
numberOfSubdomains 4;
|
||||
|
||||
method metis;
|
||||
method simple;
|
||||
|
||||
simpleCoeffs
|
||||
{
|
||||
n ( 4 1 1 );
|
||||
n (2 2 1);
|
||||
delta 0.001;
|
||||
}
|
||||
|
||||
hierarchicalCoeffs
|
||||
{
|
||||
n ( 1 1 1 );
|
||||
n (1 1 1);
|
||||
delta 0.001;
|
||||
order xyz;
|
||||
}
|
||||
|
||||
metisCoeffs
|
||||
{
|
||||
processorWeights ( 1 1 1 1 );
|
||||
processorWeights
|
||||
(
|
||||
1
|
||||
3
|
||||
);
|
||||
}
|
||||
|
||||
manualCoeffs
|
||||
@ -44,7 +56,9 @@ manualCoeffs
|
||||
|
||||
distributed no;
|
||||
|
||||
roots ( );
|
||||
roots
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -17,43 +17,37 @@ FoamFile
|
||||
|
||||
ddtSchemes
|
||||
{
|
||||
default Euler;
|
||||
default none;
|
||||
}
|
||||
|
||||
gradSchemes
|
||||
{
|
||||
default Gauss linear;
|
||||
grad(p) Gauss linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
divSchemes
|
||||
{
|
||||
default none;
|
||||
div(phi,U) Gauss linear;
|
||||
}
|
||||
|
||||
laplacianSchemes
|
||||
{
|
||||
default none;
|
||||
laplacian(nu,U) Gauss linear corrected;
|
||||
laplacian(1|A(U),p) Gauss linear corrected;
|
||||
}
|
||||
|
||||
interpolationSchemes
|
||||
{
|
||||
default linear;
|
||||
interpolate(HbyA) linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
snGradSchemes
|
||||
{
|
||||
default corrected;
|
||||
default none;
|
||||
}
|
||||
|
||||
fluxRequired
|
||||
{
|
||||
default no;
|
||||
p ;
|
||||
}
|
||||
|
||||
|
||||
@ -11,13 +11,12 @@ FoamFile
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object mdSolution;
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
integrationMethod verletLeapfrog;
|
||||
|
||||
potentialEnergyLimit 5.256e-20;
|
||||
|
||||
solvers
|
||||
{
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -2,7 +2,7 @@
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -10,14 +10,10 @@ FoamFile
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object mdSolution;
|
||||
object mdEquilibrationDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
integrationMethod verletLeapfrog;
|
||||
|
||||
potentialEnergyLimit 5.256e-20;
|
||||
|
||||
targetTemperature 298;
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,53 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object molConfigDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Euler angles, expressed in degrees as phi, theta, psi, see
|
||||
// http://mathworld.wolfram.com/EulerAngles.html
|
||||
|
||||
liquid
|
||||
{
|
||||
massDensity 980;
|
||||
temperature 298;
|
||||
bulkVelocity (0.0 0.0 0.0);
|
||||
latticeIds
|
||||
(
|
||||
water
|
||||
water2
|
||||
water
|
||||
water2
|
||||
);
|
||||
tetherSiteIds ();
|
||||
latticePositions
|
||||
(
|
||||
(0 0 0)
|
||||
(0 0.5 0.5)
|
||||
(0.5 0 0.5)
|
||||
(0.5 0.5 0)
|
||||
);
|
||||
anchor (0 0 0);
|
||||
orientationAngles (0 0 0);
|
||||
latticeCellShape (1 1 1);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,118 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object potentials;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Subdictionaries specifying types of intermolecular potential.
|
||||
// Sub-sub dictionaries specify the potentials themselves.
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Removal order
|
||||
|
||||
// This is the order in which to remove overlapping pairs if more than one
|
||||
// type of molecule is present. The most valuable molecule type is at the
|
||||
// right hand end, the molecule that will be removed 1st is 1st on the list.
|
||||
// Not all types need to be present, a molecule that is not present is
|
||||
// automatically less valuable than any on the list. For molecules of the
|
||||
// same type there is no control over which is removed.
|
||||
|
||||
removalOrder ( water );
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Potential Energy Limit
|
||||
|
||||
// Maximum permissible pair energy allowed at startup. Used to remove
|
||||
// overlapping molecules created during preprocessing.
|
||||
|
||||
potentialEnergyLimit 1e-18;
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Pair potentials
|
||||
|
||||
// If a pair are not present here it is assumed that they do not interact.
|
||||
|
||||
// Electrostatic pair interactions are not listed here - they are handled
|
||||
// separately.
|
||||
|
||||
// If there are r different type of molecules, and a pair force is required
|
||||
// between all combinations, then there are C = r(r+1)/2 combinations,
|
||||
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
|
||||
|
||||
// Pair potentials are specified by the combinaition of their ids,
|
||||
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
|
||||
// (strictly OR, both or neither will throw an error)
|
||||
|
||||
pair
|
||||
{
|
||||
O-O
|
||||
{
|
||||
pairPotential lennardJones;
|
||||
rCut 1.0e-9;
|
||||
rMin 0.1e-9;
|
||||
dr 1e-13;
|
||||
lennardJonesCoeffs
|
||||
{
|
||||
sigma 3.154e-10;
|
||||
epsilon 1.07690722e-21;
|
||||
}
|
||||
energyScalingFunction noScaling;
|
||||
writeTables yes;
|
||||
}
|
||||
|
||||
electrostatic
|
||||
{
|
||||
pairPotential dampedCoulomb;
|
||||
rCut 1e-9;
|
||||
rMin 2e-11;
|
||||
dr 2e-12;
|
||||
dampedCoulombCoeffs
|
||||
{
|
||||
alpha 2e9;
|
||||
}
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables yes;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Tethering Potentials
|
||||
|
||||
tether
|
||||
{
|
||||
O
|
||||
{
|
||||
tetherPotential restrainedHarmonicSpring;
|
||||
restrainedHarmonicSpringCoeffs
|
||||
{
|
||||
springConstant 0.277;
|
||||
rR 1.2e-9;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// External Forces
|
||||
|
||||
// Bulk external forces (namely gravity) will be specified as forces rather
|
||||
// than potentials to allow their direction to be controlled.
|
||||
|
||||
external
|
||||
{
|
||||
gravity (0 0 0);
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -3,14 +3,8 @@
|
||||
# Source tutorial clean functions
|
||||
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
|
||||
|
||||
cd constrictedChannel
|
||||
rm -rf 0
|
||||
rm -rf Ar-Ar Ar-Ne Ne-Ne
|
||||
rm -rf constant/idList
|
||||
cleanCase
|
||||
cd ..
|
||||
|
||||
cd nanoNozzle
|
||||
rm -rf constant/polyMesh/sets
|
||||
rm -rf processor[0-9]
|
||||
cleanCase
|
||||
cd ..
|
||||
@ -3,13 +3,7 @@
|
||||
# Source tutorial run functions
|
||||
. $WM_PROJECT_DIR/bin/tools/RunFunctions
|
||||
|
||||
application="gnemdFoam"
|
||||
|
||||
cd constrictedChannel
|
||||
runApplication blockMesh
|
||||
runApplication molConfig
|
||||
runApplication $application
|
||||
cd ..
|
||||
application="mdFoam"
|
||||
|
||||
cd nanoNozzle
|
||||
runApplication blockMesh
|
||||
@ -17,7 +11,7 @@ cd nanoNozzle
|
||||
runApplication decomposePar
|
||||
hostname > system/machines
|
||||
|
||||
runParallel molConfig 4 system/machines
|
||||
runParallel mdInitialise 4 system/machines
|
||||
runParallel $application 4 system/machines
|
||||
|
||||
runApplication reconstructPar
|
||||
@ -0,0 +1,45 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "constant";
|
||||
object moleculeProperties;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
water
|
||||
{
|
||||
siteIds (H H O M);
|
||||
pairPotentialSiteIds (O);
|
||||
siteReferencePositions
|
||||
(
|
||||
(7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(-7.56950327263661e-11 5.85882276618295e-11 0)
|
||||
(0 0 0)
|
||||
(0 1.5e-11 0)
|
||||
);
|
||||
siteMasses
|
||||
(
|
||||
1.67353255e-27
|
||||
1.67353255e-27
|
||||
2.6560176e-26
|
||||
0
|
||||
);
|
||||
siteCharges
|
||||
(
|
||||
8.3313177324e-20
|
||||
8.3313177324e-20
|
||||
0
|
||||
-1.66626354648e-19
|
||||
);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -14,9 +14,9 @@ FoamFile
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
convertToMeters 3e-9;
|
||||
convertToMeters 3.2e-9;
|
||||
|
||||
vertices
|
||||
vertices
|
||||
(
|
||||
(0 0 0)
|
||||
(3.5 0 0)
|
||||
@ -44,47 +44,19 @@ vertices
|
||||
(16 2.5 3.5)
|
||||
);
|
||||
|
||||
blocks
|
||||
blocks
|
||||
(
|
||||
hex (0 1 2 3 4 5 6 7) sectionA (16 15 15) simpleGrading (1 1 1)
|
||||
hex (1 8 9 2 5 10 11 6) sectionA (16 15 15) simpleGrading (0.4 1 1)
|
||||
hex (8 12 13 9 10 14 15 11) sectionB (16 15 15) simpleGrading (1 1 1)
|
||||
hex (12 16 17 13 14 18 19 15) sectionC (11 15 15) simpleGrading (2.8 1 1)
|
||||
hex (16 20 21 17 18 22 23 19) sectionC (16 15 15) simpleGrading (1 1 1)
|
||||
hex (0 1 2 3 4 5 6 7) sectionA (20 16 16) simpleGrading (1 1 1)
|
||||
hex (1 8 9 2 5 10 11 6) sectionA (20 16 16) simpleGrading (1 1 1)
|
||||
hex (8 12 13 9 10 14 15 11) sectionB (29 16 16) simpleGrading (1 1 1)
|
||||
hex (12 16 17 13 14 18 19 15) sectionC (17 16 16) simpleGrading (1 1 1)
|
||||
hex (16 20 21 17 18 22 23 19) sectionC (20 16 16) simpleGrading (1 1 1)
|
||||
);
|
||||
|
||||
edges
|
||||
(
|
||||
simpleSpline 12 16
|
||||
(
|
||||
(10.375 0.875 0.4)
|
||||
(10.75 0.75 0)
|
||||
(11.125 0.625 -0.4)
|
||||
)
|
||||
|
||||
simpleSpline 14 18
|
||||
(
|
||||
(10.375 0.875 2.6)
|
||||
(10.75 0.75 3)
|
||||
(11.125 0.625 3.4)
|
||||
)
|
||||
|
||||
simpleSpline 15 19
|
||||
(
|
||||
(10.375 2.125 2.6)
|
||||
(10.75 2.25 3)
|
||||
(11.125 2.375 3.4)
|
||||
)
|
||||
|
||||
simpleSpline 13 17
|
||||
(
|
||||
(10.375 2.125 0.4)
|
||||
(10.75 2.25 0)
|
||||
(11.125 2.375 -0.4)
|
||||
)
|
||||
);
|
||||
edges
|
||||
();
|
||||
|
||||
patches
|
||||
patches
|
||||
(
|
||||
patch
|
||||
sectionAEnd
|
||||
@ -92,12 +64,12 @@ patches
|
||||
(0 4 7 3)
|
||||
)
|
||||
|
||||
patch
|
||||
wall
|
||||
sectionCEnd
|
||||
(
|
||||
(20 21 23 22)
|
||||
)
|
||||
|
||||
|
||||
wall
|
||||
front
|
||||
(
|
||||
@ -107,7 +79,7 @@ patches
|
||||
(12 16 18 14)
|
||||
(16 20 22 18)
|
||||
)
|
||||
|
||||
|
||||
wall
|
||||
back
|
||||
(
|
||||
@ -117,7 +89,7 @@ patches
|
||||
(13 15 19 17)
|
||||
(17 19 23 21)
|
||||
)
|
||||
|
||||
|
||||
wall
|
||||
top
|
||||
(
|
||||
@ -127,7 +99,7 @@ patches
|
||||
(14 18 19 15)
|
||||
(18 22 23 19)
|
||||
)
|
||||
|
||||
|
||||
wall
|
||||
bottom
|
||||
(
|
||||
@ -139,7 +111,7 @@ patches
|
||||
)
|
||||
);
|
||||
|
||||
mergePatchPairs
|
||||
mergePatchPairs
|
||||
(
|
||||
);
|
||||
|
||||
@ -1,8 +1,8 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -20,38 +20,38 @@ FoamFile
|
||||
sectionAEnd
|
||||
{
|
||||
type patch;
|
||||
nFaces 225;
|
||||
startFace 48150;
|
||||
nFaces 256;
|
||||
startFace 77760;
|
||||
}
|
||||
sectionCEnd
|
||||
{
|
||||
type patch;
|
||||
nFaces 225;
|
||||
startFace 48375;
|
||||
type wall;
|
||||
nFaces 256;
|
||||
startFace 78016;
|
||||
}
|
||||
front
|
||||
{
|
||||
type wall;
|
||||
nFaces 1125;
|
||||
startFace 48600;
|
||||
nFaces 1696;
|
||||
startFace 78272;
|
||||
}
|
||||
back
|
||||
{
|
||||
type wall;
|
||||
nFaces 1125;
|
||||
startFace 49725;
|
||||
nFaces 1696;
|
||||
startFace 79968;
|
||||
}
|
||||
top
|
||||
{
|
||||
type wall;
|
||||
nFaces 1125;
|
||||
startFace 50850;
|
||||
nFaces 1696;
|
||||
startFace 81664;
|
||||
}
|
||||
bottom
|
||||
{
|
||||
type wall;
|
||||
nFaces 1125;
|
||||
startFace 51975;
|
||||
nFaces 1696;
|
||||
startFace 83360;
|
||||
}
|
||||
)
|
||||
|
||||
@ -2,7 +2,7 @@
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
@ -10,7 +10,6 @@ FoamFile
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object controlDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
@ -21,13 +20,13 @@ startTime 0;
|
||||
|
||||
stopAt endTime;
|
||||
|
||||
endTime 8e-11;
|
||||
endTime 1e-10;
|
||||
|
||||
deltaT 1e-14;
|
||||
deltaT 1e-15;
|
||||
|
||||
writeControl runTime;
|
||||
|
||||
writeInterval 2e-12;
|
||||
writeInterval 2e-13;
|
||||
|
||||
purgeWrite 0;
|
||||
|
||||
@ -45,5 +44,4 @@ runTimeModifiable yes;
|
||||
|
||||
adjustTimeStep no;
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,66 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object decomposeParDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
|
||||
numberOfSubdomains 4;
|
||||
|
||||
method metis;
|
||||
|
||||
simpleCoeffs
|
||||
{
|
||||
n (2 2 1);
|
||||
delta 0.001;
|
||||
}
|
||||
|
||||
hierarchicalCoeffs
|
||||
{
|
||||
n (1 1 1);
|
||||
delta 0.001;
|
||||
order xyz;
|
||||
}
|
||||
|
||||
metisCoeffs
|
||||
{
|
||||
processorWeights
|
||||
(
|
||||
1
|
||||
1
|
||||
1
|
||||
1
|
||||
);
|
||||
}
|
||||
|
||||
manualCoeffs
|
||||
{
|
||||
dataFile "";
|
||||
}
|
||||
|
||||
distributed no;
|
||||
|
||||
roots
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -17,43 +17,37 @@ FoamFile
|
||||
|
||||
ddtSchemes
|
||||
{
|
||||
default Euler;
|
||||
default none;
|
||||
}
|
||||
|
||||
gradSchemes
|
||||
{
|
||||
default Gauss linear;
|
||||
grad(p) Gauss linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
divSchemes
|
||||
{
|
||||
default none;
|
||||
div(phi,U) Gauss linear;
|
||||
}
|
||||
|
||||
laplacianSchemes
|
||||
{
|
||||
default none;
|
||||
laplacian(nu,U) Gauss linear corrected;
|
||||
laplacian(1|A(U),p) Gauss linear corrected;
|
||||
}
|
||||
|
||||
interpolationSchemes
|
||||
{
|
||||
default linear;
|
||||
interpolate(HbyA) linear;
|
||||
default none;
|
||||
}
|
||||
|
||||
snGradSchemes
|
||||
{
|
||||
default corrected;
|
||||
default none;
|
||||
}
|
||||
|
||||
fluxRequired
|
||||
{
|
||||
default no;
|
||||
p ;
|
||||
}
|
||||
|
||||
|
||||
@ -11,13 +11,12 @@ FoamFile
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "system";
|
||||
object mdSolution;
|
||||
object fvSolution;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
integrationMethod verletLeapfrog;
|
||||
|
||||
potentialEnergyLimit 5.256e-20;
|
||||
|
||||
solvers
|
||||
{
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,19 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object mdEquilibrationDict;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
targetTemperature 298;
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,85 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.3 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object molConfigDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Euler angles, expressed in degrees as phi, theta, psi, see
|
||||
// http://mathworld.wolfram.com/EulerAngles.html
|
||||
|
||||
sectionA
|
||||
{
|
||||
massDensity 980;
|
||||
temperature 298;
|
||||
bulkVelocity (0.0 0.0 0.0);
|
||||
latticeIds
|
||||
(
|
||||
water
|
||||
);
|
||||
tetherSiteIds ();
|
||||
latticePositions
|
||||
(
|
||||
(0 0 0)
|
||||
);
|
||||
anchor (0 0 0);
|
||||
orientationAngles (0 0 0);
|
||||
latticeCellShape (1 1 1);
|
||||
}
|
||||
|
||||
sectionB
|
||||
{
|
||||
massDensity 980;
|
||||
temperature 298;
|
||||
bulkVelocity (0.0 0.0 0.0);
|
||||
latticeIds
|
||||
(
|
||||
water
|
||||
);
|
||||
tetherSiteIds ();
|
||||
latticePositions
|
||||
(
|
||||
(0 0 0)
|
||||
);
|
||||
anchor (0 0 0);
|
||||
orientationAngles (0 0 0);
|
||||
latticeCellShape (1 1 1);
|
||||
}
|
||||
|
||||
sectionC
|
||||
{
|
||||
massDensity 980;
|
||||
temperature 298;
|
||||
bulkVelocity (0.0 0.0 0.0);
|
||||
latticeIds
|
||||
(
|
||||
water
|
||||
);
|
||||
tetherSiteIds ();
|
||||
latticePositions
|
||||
(
|
||||
(0 0 0)
|
||||
);
|
||||
anchor (0 0 0);
|
||||
orientationAngles (0 0 0);
|
||||
latticeCellShape (1 1 1);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,118 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.5 |
|
||||
| \\ / A nd | Web: http://www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
object potentials;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
// Subdictionaries specifying types of intermolecular potential.
|
||||
// Sub-sub dictionaries specify the potentials themselves.
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Removal order
|
||||
|
||||
// This is the order in which to remove overlapping pairs if more than one
|
||||
// type of molecule is present. The most valuable molecule type is at the
|
||||
// right hand end, the molecule that will be removed 1st is 1st on the list.
|
||||
// Not all types need to be present, a molecule that is not present is
|
||||
// automatically less valuable than any on the list. For molecules of the
|
||||
// same type there is no control over which is removed.
|
||||
|
||||
removalOrder ( water );
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Potential Energy Limit
|
||||
|
||||
// Maximum permissible pair energy allowed at startup. Used to remove
|
||||
// overlapping molecules created during preprocessing.
|
||||
|
||||
potentialEnergyLimit 1e-18;
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Pair potentials
|
||||
|
||||
// If a pair are not present here it is assumed that they do not interact.
|
||||
|
||||
// Electrostatic pair interactions are not listed here - they are handled
|
||||
// separately.
|
||||
|
||||
// If there are r different type of molecules, and a pair force is required
|
||||
// between all combinations, then there are C = r(r+1)/2 combinations,
|
||||
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
|
||||
|
||||
// Pair potentials are specified by the combinaition of their ids,
|
||||
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
|
||||
// (strictly OR, both or neither will throw an error)
|
||||
|
||||
pair
|
||||
{
|
||||
O-O
|
||||
{
|
||||
pairPotential lennardJones;
|
||||
rCut 1.0e-9;
|
||||
rMin 0.1e-9;
|
||||
dr 1e-13;
|
||||
lennardJonesCoeffs
|
||||
{
|
||||
sigma 3.154e-10;
|
||||
epsilon 1.07690722e-21;
|
||||
}
|
||||
energyScalingFunction noScaling;
|
||||
writeTables yes;
|
||||
}
|
||||
|
||||
electrostatic
|
||||
{
|
||||
pairPotential dampedCoulomb;
|
||||
rCut 1e-9;
|
||||
rMin 2e-11;
|
||||
dr 2e-12;
|
||||
dampedCoulombCoeffs
|
||||
{
|
||||
alpha 2e9;
|
||||
}
|
||||
energyScalingFunction shiftedForce;
|
||||
writeTables yes;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// Tethering Potentials
|
||||
|
||||
tether
|
||||
{
|
||||
O
|
||||
{
|
||||
tetherPotential restrainedHarmonicSpring;
|
||||
restrainedHarmonicSpringCoeffs
|
||||
{
|
||||
springConstant 0.277;
|
||||
rR 1.2e-9;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
// External Forces
|
||||
|
||||
// Bulk external forces (namely gravity) will be specified as forces rather
|
||||
// than potentials to allow their direction to be controlled.
|
||||
|
||||
external
|
||||
{
|
||||
gravity (0 0 0);
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,24 +1,23 @@
|
||||
#!/bin/sh
|
||||
|
||||
# Source tutorial run functions
|
||||
. $WM_PROJECT_DIR/bin/tools/RunFunctions
|
||||
|
||||
application="porousExplicitSourceReactingParcelFoam"
|
||||
|
||||
# create mesh
|
||||
blockMesh >& log.blockMesh
|
||||
runApplication blockMesh
|
||||
|
||||
# create sets - 1
|
||||
# create sets
|
||||
setSet -batch system/sets.setSet >& log.setSet1
|
||||
|
||||
# create the first cyclic - lhs of porous zone
|
||||
createBaffles cycLeft cycLeft -overwrite >& log.createBaffles1
|
||||
|
||||
# create sets - 2 (ordering changed after createBaffles)
|
||||
setSet -batch system/sets.setSet >& log.setSet2
|
||||
|
||||
# create the second cyclic - rhs of porous zone
|
||||
createBaffles cycRight cycRight -overwrite >& log.createBaffles2
|
||||
|
||||
# create sets - 3 (ordering changed after createBaffles)
|
||||
setSet -batch system/sets.setSet >& log.setSet3
|
||||
|
||||
# convert sets to zones
|
||||
setsToZones -noFlipMap >& log.setsToZones
|
||||
|
||||
# create the first cyclic - lhs of porous zone
|
||||
createBaffles cycLeft cycLeft -overwrite >& log.createBaffles1
|
||||
|
||||
# create the second cyclic - rhs of porous zone
|
||||
createBaffles cycRight cycRight -overwrite >& log.createBaffles2
|
||||
|
||||
runApplication $application
|
||||
|
||||
@ -0,0 +1,114 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "/home/hunt2/mattijs/OpenFOAM/mattijs-1.4/run/testLoop1.4/moveMesh";
|
||||
case "cone";
|
||||
instance "0";
|
||||
local "";
|
||||
|
||||
class pointVectorField;
|
||||
object pointMotionU;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
dimensions [0 1 0 0 0 0 0];
|
||||
|
||||
internalField uniform (0 0 0);
|
||||
|
||||
boundaryField
|
||||
{
|
||||
maxZ
|
||||
{
|
||||
type fixedValue;
|
||||
value uniform (0 0 0);
|
||||
}
|
||||
|
||||
minZ
|
||||
{
|
||||
type surfaceDisplacement;
|
||||
value uniform (0 0 0);
|
||||
|
||||
// Clip displacement to surface by max deltaT*velocity.
|
||||
velocity (10 10 10);
|
||||
|
||||
geometry
|
||||
{
|
||||
AcrossRiver.stl
|
||||
{
|
||||
type triSurfaceMesh;
|
||||
}
|
||||
};
|
||||
|
||||
// Find projection with surface:
|
||||
// fixedNormal : intersections along prespecified direction
|
||||
// pointNormal : intersections along current pointNormal of patch
|
||||
// nearest : nearest point on surface
|
||||
// Other
|
||||
projectMode fixedNormal;
|
||||
|
||||
// if fixedNormal : normal
|
||||
projectDirection (0 0 1);
|
||||
|
||||
//- -1 or component to knock out before doing projection
|
||||
wedgePlane -1;
|
||||
|
||||
//- Points that should remain fixed
|
||||
//frozenPointsZone fixedPointsZone;
|
||||
}
|
||||
|
||||
// minZ
|
||||
// {
|
||||
// type surfaceSlipDisplacement;
|
||||
// geometry
|
||||
// {
|
||||
// hellskull.stl
|
||||
// {
|
||||
// type triSurfaceMesh;
|
||||
// }
|
||||
// };
|
||||
//
|
||||
// followMode fixedNormal;
|
||||
//
|
||||
// projectDirection (0 0 1);
|
||||
//
|
||||
// //- -1 or component to knock out before doing projection
|
||||
// wedgePlane -1;
|
||||
//
|
||||
// //- Points that should remain fixed
|
||||
// //frozenPointsZone fixedPointsZone;
|
||||
// }
|
||||
|
||||
maxX
|
||||
{
|
||||
type slip;
|
||||
}
|
||||
|
||||
minX
|
||||
{
|
||||
type slip;
|
||||
}
|
||||
|
||||
minY
|
||||
{
|
||||
type slip;
|
||||
}
|
||||
|
||||
maxY
|
||||
{
|
||||
type slip;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,40 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object motionProperties;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
dynamicFvMesh dynamicMotionSolverFvMesh;
|
||||
|
||||
motionSolverLibs ("libfvMotionSolvers.so");
|
||||
|
||||
solver displacementSBRStress; //displacementLaplacian; //displacementSBRStress;
|
||||
diffusivity quadratic quadratic inverseDistance 1(minZ);
|
||||
|
||||
//solver velocityComponentLaplacian z;
|
||||
//diffusivity uniform;
|
||||
//diffusivity directional (1 200 0);
|
||||
// diffusivity motionDirectional (1 1000 0);
|
||||
// diffusivity file motionDiffusivity;
|
||||
diffusivity quadratic inverseDistance 1(minZ);
|
||||
// diffusivity exponential 2000 inverseDistance 1(movingWall);
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,82 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.0 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object blockMeshDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
|
||||
convertToMeters 1;
|
||||
|
||||
vertices
|
||||
(
|
||||
( 659531 4.7513e+06 1028)
|
||||
( 659531 4.7513e+06 2100)
|
||||
( 662381 4.7513e+06 2100)
|
||||
( 662381 4.7513e+06 1028)
|
||||
( 659531 4.75454e+06 1028)
|
||||
( 659531 4.75454e+06 2100)
|
||||
( 662381 4.75454e+06 2100)
|
||||
( 662381 4.75454e+06 1028)
|
||||
);
|
||||
blocks
|
||||
(
|
||||
hex (0 1 2 3 4 5 6 7) (20 60 60) simpleGrading (10.0 1 1)
|
||||
);
|
||||
|
||||
|
||||
edges
|
||||
(
|
||||
);
|
||||
|
||||
patches
|
||||
(
|
||||
wall maxX
|
||||
(
|
||||
(3 7 6 2)
|
||||
)
|
||||
wall minZ
|
||||
(
|
||||
(0 4 7 3)
|
||||
)
|
||||
wall maxZ
|
||||
(
|
||||
(2 6 5 1)
|
||||
)
|
||||
wall minX
|
||||
(
|
||||
(1 5 4 0)
|
||||
)
|
||||
wall minY
|
||||
(
|
||||
(0 3 2 1)
|
||||
)
|
||||
wall maxY
|
||||
(
|
||||
(4 5 6 7)
|
||||
)
|
||||
);
|
||||
|
||||
mergePatchPairs
|
||||
(
|
||||
);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,58 @@
|
||||
/*--------------------------------*- C++ -*----------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: dev |
|
||||
| \\ / A nd | Web: www.OpenFOAM.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class polyBoundaryMesh;
|
||||
location "constant/polyMesh";
|
||||
object boundary;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
6
|
||||
(
|
||||
maxX
|
||||
{
|
||||
type wall;
|
||||
nFaces 1200;
|
||||
startFace 210000;
|
||||
}
|
||||
minZ
|
||||
{
|
||||
type wall;
|
||||
nFaces 3600;
|
||||
startFace 211200;
|
||||
}
|
||||
maxZ
|
||||
{
|
||||
type wall;
|
||||
nFaces 3600;
|
||||
startFace 214800;
|
||||
}
|
||||
minX
|
||||
{
|
||||
type wall;
|
||||
nFaces 1200;
|
||||
startFace 218400;
|
||||
}
|
||||
minY
|
||||
{
|
||||
type wall;
|
||||
nFaces 1200;
|
||||
startFace 219600;
|
||||
}
|
||||
maxY
|
||||
{
|
||||
type wall;
|
||||
nFaces 1200;
|
||||
startFace 220800;
|
||||
}
|
||||
)
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,28 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object transportProperties;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
nu nu [0 2 -1 0 0 0 0] 0.01;
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
Binary file not shown.
|
After Width: | Height: | Size: 44 KiB |
File diff suppressed because it is too large
Load Diff
Binary file not shown.
@ -0,0 +1,56 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object controlDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
application icoFoam;
|
||||
|
||||
startFrom startTime;
|
||||
|
||||
startTime 0;
|
||||
|
||||
stopAt endTime;
|
||||
|
||||
endTime 25;
|
||||
|
||||
deltaT 1;
|
||||
|
||||
writeControl timeStep;
|
||||
|
||||
writeInterval 5;
|
||||
|
||||
purgeWrite 0;
|
||||
|
||||
writeFormat ascii;
|
||||
|
||||
writePrecision 6;
|
||||
|
||||
writeCompression uncompressed;
|
||||
|
||||
timeFormat general;
|
||||
|
||||
timePrecision 6;
|
||||
|
||||
runTimeModifiable yes;
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,72 @@
|
||||
/*-------------------------------*- C++ -*---------------------------------*\
|
||||
| ========= |
|
||||
| \\ / OpenFOAM |
|
||||
| \\ / |
|
||||
| \\ / The Open Source CFD Toolbox |
|
||||
| \\/ http://www.OpenFOAM.org |
|
||||
\*-------------------------------------------------------------------------*/
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
note "mesh decomposition control dictionary";
|
||||
location "system";
|
||||
object decomposeParDict;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
numberOfSubdomains 2;
|
||||
|
||||
// preservePatches (inlet);
|
||||
// preserveFaceZones (heater solid1 solid3);
|
||||
|
||||
// method simple;
|
||||
method hierarchical;
|
||||
// method metis;
|
||||
// method manual;
|
||||
|
||||
simpleCoeffs
|
||||
{
|
||||
n (2 2 1);
|
||||
delta 0.001;
|
||||
}
|
||||
|
||||
hierarchicalCoeffs
|
||||
{
|
||||
n (2 1 1);
|
||||
delta 0.001;
|
||||
order xyz;
|
||||
}
|
||||
|
||||
metisCoeffs
|
||||
{
|
||||
/*
|
||||
processorWeights
|
||||
(
|
||||
1
|
||||
1
|
||||
1
|
||||
1
|
||||
);
|
||||
*/
|
||||
}
|
||||
|
||||
manualCoeffs
|
||||
{
|
||||
dataFile "decompositionData";
|
||||
}
|
||||
|
||||
|
||||
//// Is the case distributed
|
||||
//distributed yes;
|
||||
//// Per slave (so nProcs-1 entries) the directory above the case.
|
||||
//roots
|
||||
//(
|
||||
// "/tmp"
|
||||
// "/tmp"
|
||||
//);
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,69 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object fvSchemes;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
ddtSchemes
|
||||
{
|
||||
default Euler;
|
||||
}
|
||||
|
||||
gradSchemes
|
||||
{
|
||||
default Gauss linear;
|
||||
grad(p) Gauss linear;
|
||||
}
|
||||
|
||||
divSchemes
|
||||
{
|
||||
default none;
|
||||
div(phi,U) Gauss linear;
|
||||
}
|
||||
|
||||
laplacianSchemes
|
||||
{
|
||||
default none;
|
||||
laplacian(nu,U) Gauss linear corrected;
|
||||
laplacian((1|A(U)),p) Gauss linear corrected;
|
||||
laplacian(diffusivity,cellDisplacement) Gauss linear corrected;
|
||||
laplacian(diffusivity,cellMotionU) Gauss linear corrected;
|
||||
}
|
||||
|
||||
interpolationSchemes
|
||||
{
|
||||
default linear;
|
||||
interpolate(HbyA) linear;
|
||||
}
|
||||
|
||||
snGradSchemes
|
||||
{
|
||||
default corrected;
|
||||
}
|
||||
|
||||
fluxRequired
|
||||
{
|
||||
default no;
|
||||
p;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,82 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
| ========= | |
|
||||
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
|
||||
| \\ / O peration | Version: 1.4 |
|
||||
| \\ / A nd | Web: http://www.openfoam.org |
|
||||
| \\/ M anipulation | |
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
FoamFile
|
||||
{
|
||||
version 2.0;
|
||||
format ascii;
|
||||
|
||||
root "";
|
||||
case "";
|
||||
instance "";
|
||||
local "";
|
||||
|
||||
class dictionary;
|
||||
object fvSolution;
|
||||
}
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
solvers
|
||||
{
|
||||
p
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
};
|
||||
|
||||
U
|
||||
{
|
||||
solver PBiCG;
|
||||
preconditioner DILU;
|
||||
tolerance 1e-05;
|
||||
relTol 0;
|
||||
};
|
||||
cellDisplacement
|
||||
{
|
||||
solver GAMG;
|
||||
tolerance 1e-8;
|
||||
relTol 0;
|
||||
smoother GaussSeidel;
|
||||
cacheAgglomeration true;
|
||||
nCellsInCoarsestLevel 10;
|
||||
agglomerator faceAreaPair;
|
||||
mergeLevels 1;
|
||||
};
|
||||
cellMotionU
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-08;
|
||||
relTol 0;
|
||||
};
|
||||
cellMotionUz
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-08;
|
||||
relTol 0;
|
||||
};
|
||||
}
|
||||
|
||||
//PISO
|
||||
//{
|
||||
// nCorrectors 2;
|
||||
// nNonOrthogonalCorrectors 2;
|
||||
// pRefCell 0;
|
||||
// pRefValue 0;
|
||||
//}
|
||||
//
|
||||
//relaxationFactors
|
||||
//{
|
||||
//}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -83,8 +83,8 @@ geometry
|
||||
|
||||
seal
|
||||
{
|
||||
surface fridgeFreezer;
|
||||
scale (1.0 1.0 1.0);
|
||||
surface box1;
|
||||
scale (1.0 1.0 2.1);
|
||||
transform
|
||||
{
|
||||
type cartesian;
|
||||
@ -95,8 +95,8 @@ geometry
|
||||
}
|
||||
herring
|
||||
{
|
||||
surface fridgeFreezer;
|
||||
scale (1.0 1.0 1.0);
|
||||
surface box1;
|
||||
scale (1.0 1.0 2.1);
|
||||
transform
|
||||
{
|
||||
type cartesian;
|
||||
|
||||
@ -1 +0,0 @@
|
||||
noisy
|
||||
Reference in New Issue
Block a user