Member occ::io::GridSettings::for_sgx (size_t angular_points=50): Use for_cosx(COSXGridLevel) instead for ORCA-compatible grids
Member occ::xtb::XtbCalculator::compute_gradient_analytical (): Use gradient instead.
Member occ::xtb::XtbCalculator::compute_gradient_numerical (double step_bohr=1e-3): Use gradient_numerical instead.