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changed timestep control in molecule::move to tEnd > (SMALL*SMALL)) to allow for short timesteps (1e-14) for MD. Problem only occuring in parallel. Added tutorials for gnemdFoam: constrictedChannel and nanoNozzle

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removed constantidList from constrictedChannel
removed idList from constrictedChannel
This commit is contained in:
graham
2008-06-20 18:52:14 +01:00
parent 1ae68a177e
commit d3cf5a5fef
25 changed files with 46056 additions and 41 deletions
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3
src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
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@ -54,7 +54,7 @@ bool molecule::move(molecule::trackData& td)
U_ += 0.5*deltaT*A_;
}
while (td.keepParticle && !td.switchProcessor && tEnd > SMALL)
while (td.keepParticle && !td.switchProcessor && tEnd > (SMALL*SMALL))
{
// set the lagrangian time-step
scalar dt = min(dtMax, tEnd);
@ -178,6 +178,7 @@ void molecule::hitWallPatch
{
U_ -= 2*Un*nw;
}
// }
}