sci-form 0.14.2

High-performance 3D molecular conformer generation using ETKDG distance geometry
Documentation
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//! RandNLA for EHT — Track E2
//!
//! Replaces the O(N³) EHT diagonalization with randomized Nyström
//! approximation for O(N² k) cost, enabling larger molecular systems.

mod nystrom;
mod solver;

pub use nystrom::{GaussianSketch, NystromApprox};
pub use solver::{solve_eht_randnla, RandNlaConfig, RandNlaInfo};