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etc/caseDicts/solvers/chemistry/TDAC: New configuration files for TDAC

Browse Source 
to simplify reacting case setup.

Tutorials
    tutorials/combustion/chemFoam/ic8h18_TDAC
    tutorials/combustion/reactingFoam/RAS/SandiaD_LTS
    tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC
    tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC
updated to benefit from the new configuration files.

Patch contributed by Francesco Contino
This commit is contained in:
Henry Weller
2018-11-08 23:06:52 +00:00
parent 9ff8bf3ae4
commit 5c86bafb82
9 changed files with 232 additions and 361 deletions
Download Patch File Download Diff File Expand all files Collapse all files

60
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties.new → etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg
View File

@ -5,39 +5,17 @@
\\ / A nd | Version: dev \\ / A nd | Version: dev
\\/ M anipulation | \\/ M anipulation |
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
solver ode;
method TDAC;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction reduction
{ {
active on; // Off by default // Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
// Tolerance depends on the reduction method, see details for each method // Tolerance depends on the reduction method, see details for each method
tolerance 0.0001; tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA // Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC; method DAC;
@ -57,20 +35,24 @@ reduction
// When automaticSIS, the method needs to know the fuel // When automaticSIS, the method needs to know the fuel
fuelSpecies fuelSpecies
{ {
CH4 1.0; CH4 1;
} }
} }
tabulation tabulation
{ {
active on; // Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;
printProportion off; printProportion off;
printNumRetrieve off; printNumRetrieve off;
// Tolerance used for retrieve and grow // Tolerance used for retrieve and grow
tolerance 1e-4; tolerance 3e-3;
// ISAT is the only method currently available // ISAT is the only method currently available
method ISAT; method ISAT;
@ -78,9 +60,10 @@ tabulation
// Scale factors used in the definition of the ellipsoid of accuracy // Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor scaleFactor
{ {
otherSpecies 1.0; otherSpecies 1;
Temperature 5E4; Temperature 10000;
Pressure 1E15; Pressure 1e15;
deltaT 1;
} }
// Maximum number of leafs stored in the binary tree // Maximum number of leafs stored in the binary tree
@ -89,15 +72,15 @@ tabulation
// Maximum life time of the leafs (in time steps) used in unsteady // Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree // simulations to force renewal of the stored chemPoints and keep the tree
// small // small
chPMaxLifeTime 1; chPMaxLifeTime 100;
// Maximum number of growth allowed on a chemPoint to avoid distorted // Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints // chemPoints
maxGrowth 1; maxGrowth 10;
// Number of time steps between analysis of the tree to remove old // Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it // chemPoints or try to balance it
checkEntireTreeInterval 1; checkEntireTreeInterval 5;
// Parameters used to decide whether to balance or not if the tree's depth // Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree // is larger than maxDepthFactor*log2(nLeafs) then balance the tree
@ -118,9 +101,8 @@ tabulation
// When mechanism reduction is used, new dimensions might be added // When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a // maxNumNewDim set the maximum number of new dimensions added during a
// growth // growth
maxNumNewDim 1; maxNumNewDim 10;
} }
// ************************************************************************* // // ************************************************************************* //

108
etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg Normal file
View File

@ -0,0 +1,108 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
reduction
{
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
}
tabulation
{
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;
printProportion off;
printNumRetrieve off;
// Tolerance used for retrieve and grow
tolerance 3e-3;
// ISAT is the only method currently available
method ISAT;
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1;
Temperature 10000;
Pressure 1e15;
deltaT 1;
}
// Maximum number of leafs stored in the binary tree
maxNLeafs 5000;
// Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree
// small
chPMaxLifeTime 1000;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 100;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 500;
// Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
maxDepthFactor 2;
// Try to balance the tree only if the size of the tree is greater
minBalanceThreshold 30;
// Activate the use of a MRU (most recently used) list
MRURetrieve false;
// Maximum size of the MRU list
maxMRUSize 0;
// Allow to grow points
growPoints true;
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 10;
}
// ************************************************************************* //

21
tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties
View File

@ -15,6 +15,8 @@ FoamFile
} }
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType chemistryType
{ {
solver ode; solver ode;
@ -34,17 +36,8 @@ odeCoeffs
reduction reduction
{ {
active on;
// Switch logging of the reduction statistics and performance
log off;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4; tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods // Search initiating set (SIS) of species, needed for most methods
initialSet initialSet
{ {
@ -52,16 +45,6 @@ reduction
IC8H18; IC8H18;
HO2; HO2;
} }
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
IC8H18 1;
}
} }
// Tabulation is not effective for single-cell ignition calculations // Tabulation is not effective for single-cell ignition calculations

4
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun
View File

@ -18,6 +18,7 @@ runApplication setFields
foamDictionary -entry "startTime" -set "0" system/controlDict foamDictionary -entry "startTime" -set "0" system/controlDict
foamDictionary -entry "writeInterval" -set "1500" system/controlDict foamDictionary -entry "writeInterval" -set "1500" system/controlDict
foamDictionary -entry "endTime" -set "1500" system/controlDict foamDictionary -entry "endTime" -set "1500" system/controlDict
rm -rf constant/chemistryProperties > /dev/null 2>&1
foamDictionary -entry "chemistry" -set "off" constant/chemistryProperties foamDictionary -entry "chemistry" -set "off" constant/chemistryProperties
runApplication $application runApplication $application
@ -26,8 +27,11 @@ runApplication $application
foamDictionary -entry "startTime" -set "1500" system/controlDict foamDictionary -entry "startTime" -set "1500" system/controlDict
foamDictionary -entry "writeInterval" -set "100" system/controlDict foamDictionary -entry "writeInterval" -set "100" system/controlDict
foamDictionary -entry "endTime" -set "5000" system/controlDict foamDictionary -entry "endTime" -set "5000" system/controlDict
rm -rf constant/chemistryProperties > /dev/null 2>&1
foamDictionary -entry "chemistry" -set "on" constant/chemistryProperties foamDictionary -entry "chemistry" -set "on" constant/chemistryProperties
runApplication -o $application runApplication -o $application
rm -rf constant/chemistryProperties > /dev/null 2>&1
#------------------------------------------------------------------------------ #------------------------------------------------------------------------------

89
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties
View File

@ -1,89 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
chemistryType
{
solver ode;
method TDAC;
}
chemistry on;
importantSpecies
{
CO2 ;
H2O ;
CH4 ;
O2 ;
}
initialChemicalTimeStep 1e-07;
odeCoeffs
{
solver seulex;
absTol 1e-08;
relTol 0.1;
}
reduction
{
active on;
log on;
tolerance 0.0001;
method DAC;
initialSet
{
CO ;
CH4 ;
HO2 ;
}
automaticSIS off;
fuelSpecies
{
CH4 1;
}
}
tabulation
{
active on;
log on;
printProportion off;
printNumRetrieve off;
tolerance 0.003;
method ISAT;
scaleFactor
{
otherSpecies 1;
Temperature 10000;
Pressure 1e+15;
deltaT 1;
}
maxNLeafs 5000;
chPMaxLifeTime 1000;
maxGrowth 100;
checkEntireTreeInterval 500;
maxDepthFactor 2;
minBalanceThreshold 30;
MRURetrieve false;
maxMRUSize 0;
growPoints true;
maxNumNewDim 10;
}
// ************************************************************************* //

56
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig Normal file
View File

@ -0,0 +1,56 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg"
chemistryType
{
solver ode;
method TDAC;
}
chemistry on;
initialChemicalTimeStep 1e-7;
//maxChemicalTimeStep 1e-3;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
importantSpecies
{
CO2;
H2O;
CH4;
O2;
}
reduction
{
tolerance 1e-4;
}
tabulation
{
tolerance 3e-3;
}
// ************************************************************************* //

69
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI
View File

@ -1,4 +1,4 @@
elements elements
5 5
( (
O O
@ -9,7 +9,7 @@ Ar
) )
; ;
species species
36 36
( (
H2 H2
@ -60,7 +60,7 @@ reactions
A 1.2e+11; A 1.2e+11;
beta -1; beta -1;
Ta 0; Ta 0;
coeffs coeffs
36 36
( (
(H2 2.4) (H2 2.4)
@ -109,7 +109,7 @@ reactions
A 5e+11; A 5e+11;
beta -1; beta -1;
Ta 0; Ta 0;
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -244,7 +244,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -454,7 +454,7 @@ reactions
A 2.8e+12; A 2.8e+12;
beta -0.86; beta -0.86;
Ta 0; Ta 0;
coeffs coeffs
36 36
( (
(H2 1) (H2 1)
@ -543,7 +543,7 @@ reactions
A 1e+12; A 1e+12;
beta -1; beta -1;
Ta 0; Ta 0;
coeffs coeffs
36 36
( (
(H2 0) (H2 0)
@ -616,7 +616,7 @@ reactions
A 2.2e+16; A 2.2e+16;
beta -2; beta -2;
Ta 0; Ta 0;
coeffs coeffs
36 36
( (
(H2 0.73) (H2 0.73)
@ -731,7 +731,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -807,7 +807,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -883,7 +883,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -959,7 +959,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1027,7 +1027,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1103,7 +1103,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1195,7 +1195,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1311,7 +1311,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1379,7 +1379,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1447,7 +1447,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1523,7 +1523,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1599,7 +1599,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1715,7 +1715,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1791,7 +1791,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -1931,7 +1931,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2279,7 +2279,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2411,7 +2411,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2527,7 +2527,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2675,7 +2675,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2789,7 +2789,7 @@ reactions
A 1.87e+14; A 1.87e+14;
beta -1; beta -1;
Ta 8554.25106; Ta 8554.25106;
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -2904,7 +2904,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3036,7 +3036,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3216,7 +3216,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3340,7 +3340,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3448,7 +3448,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3524,7 +3524,7 @@ reactions
} }
thirdBodyEfficiencies thirdBodyEfficiencies
{ {
coeffs coeffs
36 36
( (
(H2 2) (H2 2)
@ -3611,3 +3611,4 @@ reactions
Tlow 250; Tlow 250;
Thigh 5000; Thigh 5000;

93
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
View File

@ -15,6 +15,8 @@ FoamFile
} }
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType chemistryType
{ {
solver ode; solver ode;
@ -24,7 +26,7 @@ chemistryType
chemistry on; chemistry on;
initialChemicalTimeStep 1e-7; initialChemicalTimeStep 1e-7;
//maxChemicalTimeStep 1E-3; //maxChemicalTimeStep 1e-3;
odeCoeffs odeCoeffs
{ {
@ -35,101 +37,12 @@ odeCoeffs
reduction reduction
{ {
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4; tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
} }
tabulation tabulation
{ {
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;
printProportion off;
printNumRetrieve off;
// Tolerance used for retrieve and grow
tolerance 3e-3; tolerance 3e-3;
// ISAT is the only method currently available
method ISAT;
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1;
Temperature 10000;
Pressure 1e15;
deltaT 1;
}
// Maximum number of leafs stored in the binary tree
maxNLeafs 2000;
// Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree
// small
chPMaxLifeTime 100;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 10;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 5;
// Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
maxDepthFactor 2;
// Try to balance the tree only if the size of the tree is greater
minBalanceThreshold 30;
// Activate the use of a MRU (most recently used) list
MRURetrieve false;
// Maximum size of the MRU list
maxMRUSize 0;
// Allow to grow points
growPoints true;
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 10;
} }
// ************************************************************************* // // ************************************************************************* //

93
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties
View File

@ -15,6 +15,8 @@ FoamFile
} }
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType chemistryType
{ {
solver ode; solver ode;
@ -24,7 +26,7 @@ chemistryType
chemistry on; chemistry on;
initialChemicalTimeStep 1e-7; initialChemicalTimeStep 1e-7;
//maxChemicalTimeStep 1E-3; //maxChemicalTimeStep 1e-3;
odeCoeffs odeCoeffs
{ {
@ -35,101 +37,12 @@ odeCoeffs
reduction reduction
{ {
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4; tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
} }
tabulation tabulation
{ {
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;
printProportion off;
printNumRetrieve off;
// Tolerance used for retrieve and grow
tolerance 3e-3; tolerance 3e-3;
// ISAT is the only method currently available
method ISAT;
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1;
Temperature 10000;
Pressure 1e15;
deltaT 1;
}
// Maximum number of leafs stored in the binary tree
maxNLeafs 2000;
// Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree
// small
chPMaxLifeTime 100;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 10;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 5;
// Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
maxDepthFactor 2;
// Try to balance the tree only if the size of the tree is greater
minBalanceThreshold 30;
// Activate the use of a MRU (most recently used) list
MRURetrieve false;
// Maximum size of the MRU list
maxMRUSize 0;
// Allow to grow points
growPoints true;
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 10;
} }
// ************************************************************************* // // ************************************************************************* //