From 151521a186c9fd21ce7b8ea9cb44c1e2121dabc7 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Fri, 18 Mar 2016 08:23:14 +0100
Subject: [PATCH] cppcheck
---
src/bias/MetaD.cpp | 3 +--
src/core/FlexibleBin.cpp | 4 ++--
src/tools/OFile.cpp | 3 +--
src/tools/RMSD.cpp | 1 -
4 files changed, 4 insertions(+), 7 deletions(-)
diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp
index b9e92fa81..444464166 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 8b286a141..3e01c3904 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 ebd837a21..def2c449a 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 b5cad4168..e10d90dce 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++){
--
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