pele
Python energy landscape explorer
pele::FrozenCoordsConverter Member List
This is the complete list of members for pele::FrozenCoordsConverter, including all inherited members.
FrozenCoordsConverter(Array< double > const &reference_coords, Array< size_t > const &frozen_dof)pele::FrozenCoordsConverter [inline]
get_full_coords(Array< double > const &reduced_coords)pele::FrozenCoordsConverter [inline]
get_full_grad(Array< double > const &reduced_grad)pele::FrozenCoordsConverter [inline]
get_reduced_coords(Array< double > const &full_coords)pele::FrozenCoordsConverter [inline]
get_reduced_hessian(Array< double > const full_hess)pele::FrozenCoordsConverter [inline]
ndof() const pele::FrozenCoordsConverter [inline]
ndof_frozen() const pele::FrozenCoordsConverter [inline]
ndof_mobile() const pele::FrozenCoordsConverter [inline]
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