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Small fixes associated to last commit
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Now that cppcheck can access header files for optional modules,
a few more inconsistencies were spotted out.
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GiovanniBussi committed Nov 8, 2022
1 parent 80210b8 commit ccc3077
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Showing 3 changed files with 3 additions and 1 deletion.
2 changes: 1 addition & 1 deletion src/dimred/OutputPCAProjections.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -94,7 +94,7 @@ void OutputPCAProjection::performAnalysis() {
mypdb.setAtomPositions( (mypca->myref)->getReferencePositions() );
for(unsigned j=0; j<mypca->getArguments().size(); ++j) mypdb.setArgumentValue( (mypca->getArguments()[j])->getName(), (mypca->myref)->getReferenceArgument(j) );
// And output the first frame
afile.open( filename.c_str() ); afile.printf("REMARK TYPE=%s \n", mypca->mtype.c_str() );
afile.open( filename ); afile.printf("REMARK TYPE=%s \n", mypca->mtype.c_str() );
if( plumed.getAtoms().usingNaturalUnits() ) mypdb.print( 1.0, mymoldat, afile, fmt );
else mypdb.print( atoms.getUnits().getLength()/0.1, mymoldat, afile, fmt );
// And now output the eigenvectors
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1 change: 1 addition & 0 deletions src/sasa/sasa_HASEL.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -137,6 +137,7 @@ class SASA_HASEL : public Colvar {
unsigned nl_update;
int firstStepFlag;
double Ti;
// cppcheck-suppress duplInheritedMember
std::vector<AtomNumber> atoms;
vector < vector < std::string > > AtomResidueName;
vector < vector < double > > SASAparam;
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1 change: 1 addition & 0 deletions src/sasa/sasa_LCPO.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -136,6 +136,7 @@ class SASA_LCPO : public Colvar {
unsigned nl_update;
int firstStepFlag;
double Ti;
// cppcheck-suppress duplInheritedMember
std::vector<AtomNumber> atoms;
vector < vector < std::string > > AtomResidueName;
vector < vector < double > > LCPOparam;
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