diff --git a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C index a299d558fd..99a9e90d7d 100644 --- a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C +++ b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C @@ -43,10 +43,6 @@ int main(int argc, char *argv[]) potential pot(mesh); - const pairPotentialList& pairPot(pot.pairPotentials()); - - Info<< pairPot.energy(0, 0, 0.45e-9) << endl; - moleculeCloud molecules(mesh, pot); Info << "\nStarting time loop\n" << endl; diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H index 8fb1f5ebab..89e8483e32 100644 --- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H +++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H @@ -86,6 +86,10 @@ public: List