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Merge branch 'molecularDynamics'
This commit is contained in:
@ -57,7 +57,6 @@ class shifted
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scalar e_at_rCut_;
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scalar e_at_rCut_;
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public:
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public:
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//- Runtime type information
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//- Runtime type information
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@ -63,7 +63,7 @@ pair
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shift2 0.97e-9;
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shift2 0.97e-9;
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scale2 1.2e11;
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scale2 1.2e11;
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}
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}
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writeTables yes;
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writeTables no;
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}
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}
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Ar-Ne
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Ar-Ne
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@ -80,7 +80,7 @@ pair
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epsilon 8.765026657e-22;
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epsilon 8.765026657e-22;
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}
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}
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energyScalingFunction shiftedForce;
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energyScalingFunction shiftedForce;
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writeTables yes;
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writeTables no;
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}
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}
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Ne-Ne
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Ne-Ne
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@ -97,7 +97,7 @@ pair
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epsilon 5.813260729e-22;
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epsilon 5.813260729e-22;
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}
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}
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energyScalingFunction shiftedForce;
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energyScalingFunction shiftedForce;
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writeTables yes;
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writeTables no;
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}
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}
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}
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}
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@ -20,7 +20,7 @@ startTime 0;
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stopAt endTime;
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stopAt endTime;
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endTime 4e-10;
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endTime 1e-10;
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deltaT 1e-14;
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deltaT 1e-14;
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@ -3,7 +3,7 @@
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. $WM_PROJECT_DIR/bin/tools/RunFunctions
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. $WM_PROJECT_DIR/bin/tools/RunFunctions
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# Get application name from directory
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# Get application name from directory
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application=`basename $PWD`
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application="mdEquilibrationFoam"
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(cd hartmann && runApplication blockMesh)
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(cd hartmann && runApplication blockMesh)
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(cd hartmann && runApplication $application)
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(cd hartmann && runApplication $application)
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