diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C index ba3a3d90669ec95b43e98e780b7f7bb0c1324f79..a28d530015071a12d6b61f75023b3cd649dbd1c7 100644 --- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C +++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C @@ -119,8 +119,6 @@ void Foam::directInteractionList::buildDirectInteractionList const label cellO(mesh.faceOwner()[f]); - const label cellN(mesh.faceNeighbour()[f]); - forAll(pCells, pC) { const label cellI(pCells[pC]); @@ -156,6 +154,8 @@ void Foam::directInteractionList::buildDirectInteractionList // boundary faces will not have neighbour // information + const label cellN(mesh.faceNeighbour()[f]); + if (cellN > cellI) { if diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C index c9ff27fe1db9aef68d7e069af7c2b2e6a9d94052..8720368a5dde53454bd05478b88d8c89fcf8138c 100644 --- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C +++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C @@ -225,7 +225,7 @@ const Foam::pairPotential& Foam::pairPotentialList::pairPotentialFunction bool Foam::pairPotentialList::rCutMaxSqr(const scalar rIJMagSqr) const { - if (rIJMagSqr <= rCutMaxSqr_) + if (rIJMagSqr < rCutMaxSqr_) { return true; } @@ -243,7 +243,7 @@ bool Foam::pairPotentialList::rCutSqr const scalar rIJMagSqr ) const { - if (rIJMagSqr <= rCutSqr (a, b)) + if (rIJMagSqr < rCutSqr (a, b)) { return true; }