diff --git a/src/colvar/PCARMSD.cpp b/src/colvar/PCARMSD.cpp index 63d4036f86668c491f9d372296a19b1220b6d399..c5fffc32a6d77021d4024261a65768e6425655da 100644 --- a/src/colvar/PCARMSD.cpp +++ b/src/colvar/PCARMSD.cpp @@ -152,7 +152,7 @@ PLUMED_COLVAR_INIT(ao),squared(true) std::string num; Tools::convert( i, num ); string name; name=string("eig-")+num; pca_names.push_back(name); - addComponentWithDerivatives(name.c_str()); componentIsNotPeriodic(name.c_str()); + addComponentWithDerivatives(name); componentIsNotPeriodic(name); } turnOnDerivatives(); diff --git a/src/tools/Grid.cpp b/src/tools/Grid.cpp index 8c83781646bb25170c73f11adef201cf8bcd2757..3e1fbc6ae9c353e52ac14d87eb6d264863d5c3d7 100644 --- a/src/tools/Grid.cpp +++ b/src/tools/Grid.cpp @@ -571,9 +571,9 @@ void Grid::writeCubeFile(OFile& ofile){ ofile.printf("PLUMED CUBE FILE\n"); ofile.printf("OUTER LOOP: X, MIDDLE LOOP: Y, INNER LOOP: Z\n"); ofile.printf("%d %f %f %f\n",0,0.0,0.0,0.0); // Number of atoms followed by position of origin - ofile.printf("%d %f %f %f\n",nbin_[0],dx_[0],0.0,0.0); // Number of bins in each direction followed by - ofile.printf("%d %f %f %f\n",nbin_[1],0.0,dx_[1],0.0); // shape of voxel - ofile.printf("%d %f %f %f\n",nbin_[2],0.0,0.0,dx_[2]); + ofile.printf("%u %f %f %f\n",nbin_[0],dx_[0],0.0,0.0); // Number of bins in each direction followed by + ofile.printf("%u %f %f %f\n",nbin_[1],0.0,dx_[1],0.0); // shape of voxel + ofile.printf("%u %f %f %f\n",nbin_[2],0.0,0.0,dx_[2]); std::vector<unsigned> pp(3); for(pp[0]=0;pp[0]<nbin_[0];++pp[0]){ for(pp[1]=0;pp[1]<nbin_[1];++pp[1]){ diff --git a/src/tools/Tensor.h b/src/tools/Tensor.h index 979cf13037422430667b3487bdd78f790ebda40d..67532c32af90fd6fe1f725842cb73fe883af15a0 100644 --- a/src/tools/Tensor.h +++ b/src/tools/Tensor.h @@ -168,6 +168,8 @@ public: }; template<unsigned n,unsigned m> +// notice that d[] is initialized in LoopUnroller<n*m>::_zero(d); +// cppcheck-suppress uninitMemberVar TensorGeneric<n,m>::TensorGeneric(){ LoopUnroller<n*m>::_zero(d); } diff --git a/src/tools/Vector.h b/src/tools/Vector.h index daa1cc563e087444445e00668a528ad551624f1c..3b470aa3a8136ba2e3caf703a14ed6d5ffd01629 100644 --- a/src/tools/Vector.h +++ b/src/tools/Vector.h @@ -178,8 +178,10 @@ void VectorGeneric<n>::zero(){ } template <unsigned n> +// notice that d[] is initialized in LoopUnroller<n>::_zero(d) +// cppcheck-suppress uninitMemberVar VectorGeneric<n>::VectorGeneric(){ - zero(); + LoopUnroller<n>::_zero(d); } template <unsigned n>