diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index b9e92fa8153875356375ecac7d130a1533cab943..4444641661988dd8f3582d4ad32cda46890a372c 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -1391,13 +1391,12 @@ void MetaD::computeReweightingFactor(){ // Recover the minimum values for the grid unsigned ncv=getNumberOfArguments(); - double grid_size=1.0; unsigned ntotgrid=1; + unsigned ntotgrid=1; std::vector<double> dmin( ncv ),dmax( ncv ), grid_spacing( ncv ), vals( ncv ); for(unsigned j=0;j<ncv;++j){ Tools::convert( BiasGrid_->getMin()[j], dmin[j] ); Tools::convert( BiasGrid_->getMax()[j], dmax[j] ); grid_spacing[j] = ( dmax[j] - dmin[j] ) / static_cast<double>( rewf_grid_[j] ); - grid_size *= grid_spacing[j]; if( !getPntrToArgument(j)->isPeriodic() ) dmax[j] += grid_spacing[j]; ntotgrid *= rewf_grid_[j]; } diff --git a/src/core/FlexibleBin.cpp b/src/core/FlexibleBin.cpp index 8b286a14135e49cdfbfa2fbf49d7451543276c4d..3e01c39044e42ef52ce2ae22a62d3ec8ad5ad4e6 100644 --- a/src/core/FlexibleBin.cpp +++ b/src/core/FlexibleBin.cpp @@ -68,7 +68,7 @@ void FlexibleBin::update(bool nowAddAHill){ unsigned dimension=ncv*(ncv+1)/2; // this is done all the times from scratch. It is not an accumulator unsigned k=0; - unsigned i,j; + unsigned i; vector<double> cv; vector<double> delta; // if you use this below then the decay is in time units @@ -104,7 +104,7 @@ void FlexibleBin::update(bool nowAddAHill){ }else{ k=0; for(i=0;i<ncv;i++){ - for(j=i;j<ncv;j++){ // upper diagonal loop + for(unsigned j=i;j<ncv;j++){ // upper diagonal loop variance[k]+=decay*(delta[i]*delta[j]-variance[k]); k++; } diff --git a/src/tools/OFile.cpp b/src/tools/OFile.cpp index ebd837a2173b74bc53608c0aa87cf76b0ef7d5df..def2c449a50581baff289cd56a34583bc4b19364 100644 --- a/src/tools/OFile.cpp +++ b/src/tools/OFile.cpp @@ -265,7 +265,6 @@ void OFile::backupFile( const std::string& bstring, const std::string& fname ){ if(maxbackup>0 && (!comm || comm->Get_rank()==0)){ FILE* ff=std::fopen(const_cast<char*>(fname.c_str()),"r"); if(ff){ - FILE* fff=NULL; std::fclose(ff); std::string backup; size_t found=fname.find_last_of("/\\"); @@ -276,7 +275,7 @@ void OFile::backupFile( const std::string& bstring, const std::string& fname ){ Tools::convert(i,num); if(i>maxbackup) plumed_merror("cannot backup file "+file+" maximum number of backup is "+num+"\n"); backup=directory+bstring +"."+num+"."+file; - fff=std::fopen(backup.c_str(),"r"); + FILE* fff=std::fopen(backup.c_str(),"r"); if(!fff) break; else std::fclose(fff); } diff --git a/src/tools/RMSD.cpp b/src/tools/RMSD.cpp index b5cad41683682314630c4f67b4fc81d35a674d55..e10d90dcefe45a9c66eaba9220932b923ba88876 100644 --- a/src/tools/RMSD.cpp +++ b/src/tools/RMSD.cpp @@ -1051,7 +1051,6 @@ std::vector<Vector> RMSDCoreData::getDDistanceDReferenceSOMA(){ if(!isInitialized)plumed_merror("getDDistanceDReference to initialize the coreData first!"); // get the transpose rotation Tensor t_rotation=rotation.transpose(); - Tensor t_ddist_drr01=ddist_drr01.transpose(); // third expensive loop: derivatives for(unsigned iat=0;iat<n;iat++){