--- trunk/src/brains/ForceManager.cpp 2015/03/03 15:22:26 2057 +++ trunk/src/brains/ForceManager.cpp 2015/03/05 15:35:37 2067 @@ -68,8 +68,8 @@ namespace OpenMD { using namespace std; namespace OpenMD { - ForceManager::ForceManager(SimInfo * info) : info_(info), switcher_(NULL), - initialized_(false) { + ForceManager::ForceManager(SimInfo * info) : initialized_(false), info_(info), + switcher_(NULL) { forceField_ = info_->getForceField(); interactionMan_ = new InteractionManager(); fDecomp_ = new ForceMatrixDecomposition(info_, interactionMan_); @@ -115,7 +115,6 @@ namespace OpenMD { void ForceManager::setupCutoffs() { Globals* simParams_ = info_->getSimParams(); - ForceFieldOptions& forceFieldOptions_ = forceField_->getForceFieldOptions(); int mdFileVersion; rCut_ = 0.0; //Needs a value for a later max() call; @@ -626,7 +625,6 @@ namespace OpenMD { Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); DataStorage* config = &(curSnapshot->atomData); DataStorage* cgConfig = &(curSnapshot->cgData); - int jstart, jend; //calculate the center of mass of cutoff group @@ -659,8 +657,6 @@ namespace OpenMD { RealType electroMult, vdwMult; RealType vij; Vector3d fij, fg, f1; - tuple3 cuts; - RealType rCut, rCutSq, rListSq; bool in_switching_region; RealType sw, dswdr, swderiv; vector atomListColumn, atomListRow; @@ -725,7 +721,7 @@ namespace OpenMD { } } - for (unsigned int cg1 = 0; cg1 < point_.size() - 1; cg1++) { + for (cg1 = 0; cg1 < int(point_.size()) - 1; cg1++) { atomListRow = fDecomp_->getAtomsInGroupRow(cg1); newAtom1 = true;