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BUG: Wrong loop structure for molecule tests.

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This commit is contained in:
graham
2011-07-01 17:14:02 +01:00
parent 004d83e219
commit 8a93505589
1 changed files with 24 additions and 24 deletions
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48
src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.C
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@ -284,7 +284,7 @@ void Foam::polyatomicCloud::removeHighEnergyOverlaps()
forAll(dil, d)
{
forAll(cellOccupancy_[d],cellIMols)
forAll(cellOccupancy_[d], cellIMols)
{
molI = cellOccupancy_[d][cellIMols];
@ -322,35 +322,35 @@ void Foam::polyatomicCloud::removeHighEnergyOverlaps()
}
}
}
}
forAll(cellOccupancy_[d], cellIOtherMols)
{
molJ = cellOccupancy_[d][cellIOtherMols];
if (molJ > molI)
forAll(cellOccupancy_[d], cellIOtherMols)
{
if (evaluatePotentialLimit(*molI, *molJ))
molJ = cellOccupancy_[d][cellIOtherMols];
if (molJ > molI)
{
label idI = molI->id();
label idJ = molJ->id();
if
(
idI == idJ
|| findIndex(pot_.removalOrder(), idJ)
< findIndex(pot_.removalOrder(), idI)
)
if (evaluatePotentialLimit(*molI, *molJ))
{
if (findIndex(molsToDelete, molJ) == -1)
label idI = molI->id();
label idJ = molJ->id();
if
(
idI == idJ
|| findIndex(pot_.removalOrder(), idJ)
< findIndex(pot_.removalOrder(), idI)
)
{
molsToDelete.append(molJ);
if (findIndex(molsToDelete, molJ) == -1)
{
molsToDelete.append(molJ);
}
}
else if (findIndex(molsToDelete, molI) == -1)
{
molsToDelete.append(molI);
}
}
else if (findIndex(molsToDelete, molI) == -1)
{
molsToDelete.append(molI);
}
}
}