Embed in anneal

Hopping chains in anneal relax thousands of times from perturbations of an already-relaxed structure. They do not own a second L-BFGS: they hold an rgmin::Lbfgs through anneal_core::methods::warm_lbfgs::WarmLbfgs.

Checkout layout

Rust/
  eindir/
  rgmin/
  anneal/
  landfold/

anneal and landfold path-depend on the two siblings so there is one eindir-core and one rgmin in the graph.

Call site

The public hopping API is unchanged:

use anneal_core::methods::warm_lbfgs::WarmLbfgs;
use ndarray::Array1;

let mut opt = WarmLbfgs::default();
let x0 = Array1::from(vec![1.0, 1.0, 1.0, 1.0]);
let (f, x, evals) = opt.minimize(x0.view(), 200, |v| Some(fg(v)));

WarmLbfgs::forget drops the pair history when the chain jumps to a structurally different basin. minimize_watched still sits at the top of each accepted iterate so a screening predictor can stop the relaxation.

Why this crate, not a copy

A second two-loop in anneal drifted from the Nocedal-Wright 7.20 scale once already. The production method, the line search, and the pair history belong in one place.