sci-form 0.15.2

High-performance 3D molecular conformer generation using ETKDG distance geometry
Documentation 
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//! E9: Mobile Block Hessian (MBH)
//!
//! Reduces vibrational analysis cost by treating rigid groups (aromatic rings,
//! clusters) as rigid bodies with 6 DOF each, enabling real-time IR spectra
//! for large molecules.

pub mod blocks;
pub mod hessian;

pub use blocks::{build_projection_matrix, detect_rigid_blocks, BlockDecomposition, RigidBlock};
pub use hessian::{compute_mbh_frequencies, MbhConfig, MbhResult};