sci-form 0.15.1

High-performance 3D molecular conformer generation using ETKDG distance geometry
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//! Generic numerical optimizers used internally by force fields and geometry refinement.
//!
//! Currently provides a BFGS quasi-Newton minimizer ([`bfgs::RustBfgsEngine`])
//! with backtracking line search, used by conformer refinement and bounds-based
//! minimization.

pub mod bfgs;