void VectorMultiColvar::setVectorDimensionality( const unsigned& ncomp, const bool& comp, const int& nat ){ // Store number of derivatives and if vectors are complex ncomponents = ncomp; complexvec=comp; if(complexvec) dervec.resize( 2*ncomponents ); else dervec.resize( ncomponents ); // Read in the atoms if we are using multicolvar reading int natoms=nat; readAtoms( natoms ); // Create the store vector object std::string param; vesselbase::VesselOptions da("","",0,param,this); Keywords keys; StoreVectorsVessel::registerKeywords( keys ); vesselbase::VesselOptions da2(da,keys); vecs = new StoreVectorsVessel(da2); // Add the vessel to the base addVessel(vecs); // Read in any vessels readVesselKeywords(); // Resize a holder for the derivatives of the norm of the vector }
void ControlOfDefaults() { ForbiddenAction fa1; // ForbiddenAction fa2(fa1); // forbidden DefaultAction da1; DefaultAction da2(da1); }