diff --git a/src/MGmol.cc b/src/MGmol.cc index 4aa1fa26..681efacc 100644 --- a/src/MGmol.cc +++ b/src/MGmol.cc @@ -1499,6 +1499,8 @@ double MGmol::evaluateDMandEnergyAndForces(Orbitals* orbitals, force(*dorbitals, *ions_); + ions_->getForces(forces); + return eks; }