`plt-min`¶

Visualizing Minimization Optimization¶

This tool generates energy profiles, 2D optimization landscapes, and convergence plots from minimization calculations.

Method¶

Same projection approach as NEB/saddle search but using (initial, minimum) as references. The 2D landscape shows s = optimization progress toward the minimum and d = lateral deviation during optimization.

Requires eOn output with write_movies=true which produces min.dat (structured per-iteration metrics) and min (concatenated structure movie).

Plot Types¶

Energy Profile¶

rgpycrumbs eon plt-min --job-dir results/ --plot-type profile

Shows energy vs iteration. Useful for checking monotonic descent and convergence.

2D Optimization Landscape¶

rgpycrumbs eon plt-min --job-dir results/ --plot-type landscape

Projects the minimization trajectory into (s, d) coordinates. A good optimizer produces a path with d near zero (straight line to the minimum).

Convergence Panel¶

rgpycrumbs eon plt-min --job-dir results/ --plot-type convergence

Side-by-side plots of force norm and step size vs iteration.

Options¶

Option	Default	Description
`--job-dir`	(required)	eOn output directory
`--prefix`	`min`	Movie file prefix
`--plot-type`	`profile`	`profile`, `landscape`, `convergence`
`--project-path`	True	Project into (s, d) coordinates
`--surface-type`	`grad_matern`	Surface fitting method
`--ira-kmax`	1.8	IRA kmax for RMSD calculation
`--theme`	`ruhi`	Plot theme
`-o`	`min_{type}.pdf`	Output file path
`--dpi`	200	Resolution

Required eOn Output Files¶

File	Required	Description
`min` (or `min.con`)	Yes	Concatenated structure movie
`min.dat`	Yes	Per-iteration metrics (TSV)
`min.con`	No	Final minimized structure (falls back to last movie frame)

plt-min¶