added y_harmonics, a method to calculate spherical harmonics for given
angles theta and phi, and added the ability to calculate coefficients of
decomposition of the isosurface shape onto a sphericla harmonic basis.
updated run_cif_to_surface to calculate the shape coefficients
fixed issues with vector creation in surface coefficient generation
updated get_surface_coefficients to return the mean radius of the
surface in preparation for shape reconstruction
first 'working' version of reconstruction of surfaces
first fully WORKING version of surface decomposition and reconstruction
moved surface reconstruction to isosurface.reconstruct_surface, updated
run_cif_to_surface accordingly. Modified run_cif_to_surface to output
coefficients to file
fixed invariant calculation (only doing 'N' invariants at the moment)
added spherical module with methods migrated from isosurface
removed spherical harmonic methods from isosurface, and updated
run_cif_to_surface to use new spherical module
fixed segfault in spherical.create
new version of run_cif_to_surface for batch clustering
fixed bug in run_cif_to_surface
swapped points array in product ESP grid routine; no crash, but still wrong?
added non +ve and flat ADP tensor tests
added JSON module for printing JSON output
modified description to indicate non-standard complex representation
Merge branch 'master' of github.com:dylan-jayatilaka/tonto
New method to calculate clebsch-gordan coefficients, updated
spherical.foo for this method
Fixed clebsch gordan calculations, updated output in run_cif_to_surface