double Direction::calc( const std::vector<Vector>& pos, const Pbc& pbc, const std::vector<Value*>& vals, const std::vector<double>& args,
ReferenceValuePack& myder, const bool& squared ) const {
plumed_assert( squared );
for(unsigned i=0;i<getNumberOfReferenceArguments();++i) myder.addArgumentDerivatives( i, -2.*getReferenceArgument(i) );
for(unsigned i=0;i<getNumberOfAtoms();++i) myder.getAtomsDisplacementVector()[i]=getReferencePosition(i);
return 0.0;
}
void Direction::extractArgumentDisplacement( const std::vector<Value*>& vals, const std::vector<double>& arg, std::vector<double>& dirout ) const {
for(unsigned i=0; i<getNumberOfReferenceArguments(); ++i) dirout[i]=getReferenceArgument(i);
}
void Direction::addDirection( const double& weight, const Direction& dir ) {
plumed_dbg_assert( dir.getNumberOfReferenceArguments()==getNumberOfReferenceArguments() && dir.reference_atoms.size()==reference_atoms.size() );
for(unsigned i=0; i<reference_args.size(); ++i) reference_args[i] += weight*dir.reference_args[i];
for(unsigned i=0; i<reference_atoms.size(); ++i) reference_atoms[i] += weight*dir.reference_atoms[i];
}
void ReferenceArguments::displaceReferenceArguments( const double& weight, const std::vector<double>& displace ) {
plumed_dbg_assert( displace.size()==getNumberOfReferenceArguments() );
for(unsigned i=0; i<displace.size(); ++i) reference_args[i] += weight*displace[i];
}
