pytc.jastrow.test.test_bh.sm7_coeffs_to_bh_terms¶
- pytc.jastrow.test.test_bh.sm7_coeffs_to_bh_terms(atom_symbol)[source]¶
Convert SM7 coefficients to BH terms.
SM7 uses coefficients indexed by (m, n, o) tuples. BH uses BHTerm(m, n, o, c) where c is the coefficient.
Note: SM7 applies a factor of 0.5 when m == n, but BH handles this internally via delta_factor, so we keep the full coefficient.