From e478718282921894289b83df5a549cf21280ea1a Mon Sep 17 00:00:00 2001 From: graham Date: Mon, 6 Jul 2009 15:49:48 +0100 Subject: [PATCH] Modification to MD tuts. --- .../molecularDynamics/mdEquilibrationFoam/Allrun | 10 +++++----- .../periodicCubeArgon/system/mdEquilibrationDict | 5 +++-- 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun index 0d8c6de9d1..59649516d9 100755 --- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun +++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun @@ -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 diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict index e044b83785..bbdbb899ec 100644 --- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict +++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict @@ -14,6 +14,7 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -equilibrationTargetTemperature 300.0; +targetTemperature 300.0; + +// ************************************************************************* // -// ************************************************************************* // \ No newline at end of file