pele::RigidFragment Member List

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

add_symmetry_rotation(pele::Array< double > R)	pele::RigidFragment	[inline]
distance_squared(pele::VecN< 3 > const &com1, pele::VecN< 3 > const &p1, pele::VecN< 3 > const &com2, pele::VecN< 3 > const &p2) const	pele::RigidFragment
distance_squared_grad(pele::VecN< 3 > const &com1, pele::VecN< 3 > const &p1, pele::VecN< 3 > const &com2, pele::VecN< 3 > const &p2, VecN< 3 > &g_M, VecN< 3 > &g_P) const	pele::RigidFragment
get_smallest_rij(pele::VecN< 3 > const &com1, pele::VecN< 3 > const &com2) const	pele::RigidFragment	[inline]
get_symmetry_rotations() const	pele::RigidFragment	[inline]
natoms() const	pele::RigidFragment	[inline]
RigidFragment(pele::Array< double > atom_positions, Array< double > cog, double M, double W, Array< double > S, Array< double > inversion, bool can_invert, std::shared_ptr< DistanceInterface > distance_function)	pele::RigidFragment	[inline]
to_atomistic(pele::Array< double > const com, pele::VecN< 3 > const &p)	pele::RigidFragment
transform_grad(pele::VecN< 3 > const &p, pele::Array< double > const g, pele::VecN< 3 > &g_com, pele::VecN< 3 > &g_rot)	pele::RigidFragment
transform_grad(pele::Array< double > const p, pele::Array< double > const g, pele::Array< double > g_com, pele::Array< double > g_rot)	pele::RigidFragment	[inline]