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Merge branch 'molecularDynamics'

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This commit is contained in:
andy
2009-07-07 16:46:17 +01:00
parent a75e020c5a 9fb1dac1cc
commit f05cd81c11
5 changed files with 35 additions and 15 deletions
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10
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun
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@ -5,11 +5,11 @@
application="mdEquilibrationFoam"
# cd periodicCubeArgon
# runApplication blockMesh
# runApplication mdInitialise
# runApplication $application
# cd ..
cd periodicCubeArgon
runApplication blockMesh
runApplication mdInitialise
runApplication $application
cd ..
cd periodicCubeWater
runApplication blockMesh

5
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict
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@ -14,6 +14,7 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
equilibrationTargetTemperature 300.0;
targetTemperature 300.0;
// ************************************************************************* //
// ************************************************************************* //

2
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict
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@ -20,7 +20,7 @@ startTime 0;
stopAt endTime;
endTime 1e-10;
endTime 5e-12;
deltaT 1e-15;

6
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict
View File

@ -27,7 +27,7 @@ FoamFile
sectionA
{
massDensity 980;
massDensity 1004;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
@ -46,7 +46,7 @@ sectionA
sectionB
{
massDensity 980;
massDensity 1004;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
@ -65,7 +65,7 @@ sectionB
sectionC
{
massDensity 980;
massDensity 1004;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds