pele::RBTopology Member List

This is the complete list of members for pele::RBTopology, including all inherited members.

add_site(RigidFragment const &site)	pele::RBTopology	[inline]
align_all_angle_axis_vectors(pele::Array< double > x1, pele::Array< double > x2)	pele::RBTopology
align_angle_axis_vectors(pele::VecN< 3 > const &p1, pele::VecN< 3 > const &p2in)	pele::RBTopology
align_path(std::list< pele::Array< double > > path)	pele::RBTopology
distance_squared(pele::Array< double > const x1, pele::Array< double > const x2) const	pele::RBTopology	[inline]
distance_squared_grad(pele::Array< double > const x1, pele::Array< double > const x2, pele::Array< double > grad) const	pele::RBTopology	[inline]
get_coords_adaptor(pele::Array< double > x) const	pele::RBTopology	[inline]
get_sites() const	pele::RBTopology	[inline]
get_zero_modes(pele::Array< double > const x, std::vector< pele::Array< double > > &zev)	pele::RBTopology	[inline]
natoms_total() const	pele::RBTopology	[inline]
nrigid() const	pele::RBTopology	[inline]
number_of_non_rigid_atoms() const	pele::RBTopology	[inline]
RBTopology()	pele::RBTopology	[inline]
to_atomistic(Array< double > rbcoords)	pele::RBTopology
transform_gradient(pele::Array< double > rbcoords, pele::Array< double > grad, pele::Array< double > rbgrad)	pele::RBTopology