bool Value::applyForce(std::vector<double>& forces ) const {
if( !hasForce ) return false;
plumed_dbg_massert( derivatives.size()==forces.size()," forces array has wrong size" );
const unsigned N=derivatives.size();
for(unsigned i=0; i<N; ++i) forces[i]=inputForce*derivatives[i];
return true;
}
unsigned CInterpolation::findBox( const std::vector<double>& pos ){
plumed_dbg_massert( pos.size()==np.size(), "position size does not match the size of the grid");
unsigned jold, ccf_box, bnew=0;
for(unsigned i=0;i<np.size();++i){
jold=static_cast<int>( std::floor( double(bold)/double(stride[i]) ) );
bold-=jold*stride[i];
ccf_box=search1( i, pos[i], jold );
bnew+=ccf_box;
}
plumed_dbg_assert( bold==0 ); bold=bnew;
for(unsigned i=0;i<np.size();++i){ lb[i]=splinepoints(bold,i); ub[i]=splinepoints(bold+stride[i],i); }
return bold;
}
Value* ActionWithValue::getPntrToComponent( int n ) {
plumed_dbg_massert(n<values.size(),"you have requested a pointer that is out of bounds");
return values[n];
}
Value* ActionWithValue::getPntrToValue() {
plumed_dbg_massert(values.size()==1,"The number of components is not equal to one");
plumed_dbg_massert(values[0]->name==getLabel(), "The value you are trying to retrieve is not the default");
return values[0];
}
