Exemple #1
0
double ArgumentOnlyDistance::calc( const std::vector<Vector>& pos, const Pbc& pbc, const std::vector<Value*>& vals, const std::vector<double>& arg,
                                   ReferenceValuePack& myder, const bool& squared ) const {
    plumed_dbg_assert( pos.size()==0 );
    double d=calculateArgumentDistance( vals, arg, myder, squared );
    if( !myder.updateComplete() ) myder.updateDynamicLists();
    return d;
}
Exemple #2
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double ArgumentOnlyDistance::calculate( const std::vector<Value*>& vals, ReferenceValuePack& myder, const bool& squared ) const {
    std::vector<double> tmparg( vals.size() );
    for(unsigned i=0; i<vals.size(); ++i) tmparg[i]=vals[i]->get();
    double d=calculateArgumentDistance( vals, tmparg, myder, squared );
    if( !myder.updateComplete() ) myder.updateDynamicLists();
    return d;
}
Exemple #3
0
double NormalizedEuclideanDistance::calc( const std::vector<Value*>& vals, const std::vector<double>& arg, const bool& squared ){
  return calculateArgumentDistance( vals, arg, squared );
}