--- branches/development/src/nonbonded/EAM.cpp 2011/06/21 06:34:35 1586 +++ branches/development/src/nonbonded/EAM.cpp 2011/09/14 21:15:17 1629 @@ -362,15 +362,14 @@ namespace OpenMD { if (haveCutoffRadius_) if ( *(idat.rij) > eamRcut_) return; - if ( *(idat.rij) < data1.rcut) { + if ( *(idat.rij) < data1.rcut) *(idat.rho1) += data1.rho->getValueAt( *(idat.rij)); - - - if ( *(idat.rij) < data2.rcut) - *(idat.rho2) += data2.rho->getValueAt( *(idat.rij)); + - return; - } + if ( *(idat.rij) < data2.rcut) + *(idat.rho2) += data2.rho->getValueAt( *(idat.rij)); + + return; } void EAM::calcFunctional(SelfData &sdat) { @@ -395,14 +394,11 @@ namespace OpenMD { if (!initialized_) initialize(); - - if (haveCutoffRadius_) if ( *(idat.rij) > eamRcut_) return; pair res; - EAMAtomData data1 = EAMMap[idat.atypes.first]; EAMAtomData data2 = EAMMap[idat.atypes.second];