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Automatic Schoenflies point-group determination from a .xyz file: numerically detects all symmetry elements (rotations, reflections, inversion, improper rotations), then generates the full character table for any axial group on the fly — with HTML/LaTeX export, idealized-structure building, and an optional 3-D viewer.
Calculates non-zero susceptibility tensor components (Electric Dipole, Magnetic Dipole, Electric Quadrupole) and induced transverse SHG source terms for all 32 crystallographic and 122 magnetic point groups.