what's new

add "groupby" method for DataSetList
directly access "calc_..." methods from FrameArray and TrajReadOnly (traj.calc_COM, ...)
"tolist" in Traj should return 3D list (n_frame, n_atoms, 3)
"tolist" of Frame should return 2D list (n_atoms, 3)
add "tolist" for DataSet_Vector
add "keys()" to DataSetList class. Now we can use this as a list and a dict
support Grid calculation (calc_volmap, ...)
enhance speed of AtomMask selection (about 5 times faster)
add set_error_silent to turn-off (and on) cpptraj' warning
add attribute indices for AtomMask object (shorter than selected_indices method's name
support loading MDAnalysis objects (Universe)
add method load_pseudo_parm to load ParmEd and mdtraj Topology objects
fully compat with cpptraj, user can get CpptrajState from trajin.in file
(pytraj.io.load_cpptraj_file)
add to_ndarray for DataSet, Frame, Vec3,... objects
introduce memoryview for DataSet
fix memory for calculate method
add simple wrapper to pysander to be used with pandas' DataFrame
add calc_multidihedral for quickly scanning dihedral
improve code for AtomMask: add_selected_indices could accept memview
add _frame_iter_master to iterate anything that results Frame objects
add frame_iter with atom indices (before: only support atom mask): traj(mask=index_array)

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