diff --git a/src/multicolvar/MultiColvar.cpp b/src/multicolvar/MultiColvar.cpp index b47f270a3392525ef7e2e867402e9c0529fd19c8..67c2252810bec71d882f3df34ded62018efd98f8 100644 --- a/src/multicolvar/MultiColvar.cpp +++ b/src/multicolvar/MultiColvar.cpp @@ -354,9 +354,9 @@ void MultiColvar::threeBodyNeighborList( const SwitchingFunction& sf ){ if( w<getNLTolerance() ){ // Deactivate all tasks involving i and j for(unsigned k=0;k<getCurrentNumberOfActiveTasks();++k){ - unsigned ind=std::floor( getActiveTask(k) / decoder[0] ); + unsigned ind=( getActiveTask(k) / decoder[0] ); if( ind!=i ) continue; - unsigned ind2=std::floor( (getActiveTask(k) - ind*decoder[0]) / decoder[1] ); + unsigned ind2=( (getActiveTask(k) - ind*decoder[0]) / decoder[1] ); if( ind2!=j ) continue; inactive_tasks[k] = 1; } diff --git a/src/multicolvar/MultiColvarBase.cpp b/src/multicolvar/MultiColvarBase.cpp index 1955ac217858b260443f49ba20463b2a10f922c2..95d3d80f7926b81bc1c18c3d0b980d23b274a7f9 100644 --- a/src/multicolvar/MultiColvarBase.cpp +++ b/src/multicolvar/MultiColvarBase.cpp @@ -182,7 +182,7 @@ bool MultiColvarBase::setupCurrentAtomList( const unsigned& taskCode ){ natomsper=current_atoms.size(); unsigned scode = taskCode; for(unsigned i=0;i<ablocks.size();++i){ - unsigned ind=std::floor( scode / decoder[i] ); + unsigned ind=( scode / decoder[i] ); current_atoms[i]=getBaseQuantityIndex( ablocks[i][ind] ); scode -= ind*decoder[i]; } diff --git a/src/multicolvar/MultiColvarFunction.cpp b/src/multicolvar/MultiColvarFunction.cpp index aa99f284c4e32846027c017a003b2cf84f7e8e64..3367e012b8e4a088b0e830420feee389b25a47a1 100644 --- a/src/multicolvar/MultiColvarFunction.cpp +++ b/src/multicolvar/MultiColvarFunction.cpp @@ -234,7 +234,7 @@ void MultiColvarFunction::addStoredDerivative( const unsigned& jout, const unsig unsigned jindex = offset + base_index; plumed_dbg_assert( jindex<3*getNumberOfAtoms() ); addElementDerivative( jout*getNumberOfDerivatives() + jindex, der ); - unsigned iatom = std::floor( jindex / 3 ); + unsigned iatom = ( jindex / 3 ); atoms_with_derivatives.activate( iatom ); } }