eOn
Visualizing optimization trajectories¶
eOn can embed structured per-iteration metadata directly into trajectory movie
frames when write_movies = true is set in the [Debug] section of
config.ini. These metadata-rich .con movies enable rich 2D reaction-valley
projections and convergence plots via
rgpycrumbs and
chemparseplot.
For one compatibility window, write_deprecated_outs = true can also be used
to emit the older minimization and saddle-search .dat sidecars. NEB continues
to write its existing neb.dat / neb_*.dat outputs alongside the .con
movies.
Tip
Prefer the built-in potential systems under Real systems for documentation (Morse Pt NEB, LJ minimization) when you want CI-stable examples without downloading a metatomic model. This page keeps the PET-MAD vinyl alcohol case as the metatomic consumer walkthrough.
This tutorial walks through two complete workflows with PET-MAD:
a single-ended minimization of a perturbed vinyl alcohol structure
an OCI-NEB calculation for vinyl alcohol -> acetaldehyde
For each workflow we run eonclient, then visualize the result through the
public rgpycrumbs dispatcher so the tutorial matches current command-line
usage.
Plotting conventions used here (and in Real systems for documentation):
Job |
CLI |
Notes |
|---|---|---|
NEB profile |
|
Gold SP star on the final band; full structure strip |
NEB landscape |
|
True 1:1 Å |
Min profile / conv |
|
Overlay multiple |
Min landscape |
|
One landscape per endpoint; title + initial/minimized labels |
Setup¶
Minimization¶
We start by minimizing a slightly distorted vinyl alcohol molecule.
rgpycrumbs eon plt-min reads those single-ended optimization outputs.
Energy profile¶
min_profile = plot_dir / "min_profile.png"
run_rgpycrumbs(
"eon", "plt-min",
"--job-dir", str(min_dir),
"--label", "vinyl alcohol",
"--prefix", "minimization",
"--plot-type", "profile",
"--dpi", "150",
"--output", str(min_profile),
)
show_plot(min_profile)
$ /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 -m rgpycrumbs.cli eon plt-min --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type profile --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_profile.png
--> Dispatching to: /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/lib/python3.12/site-packages/rgpycrumbs/eon/plt_min.py --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type profile --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_profile.png
[10/05/26 15:44:55] INFO INFO - Loading minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization
INFO INFO - Using minimization metrics from frame
metadata (17 rows)
INFO INFO - Loaded 17 frames, 17 data rows
INFO INFO - Loaded minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization (17 frames)
INFO INFO - Setting global rcParams for ruhi theme
WARNING WARNING - Font 'Atkinson Hyperlegible' not found.
Falling back to 'sans-serif'.
INFO INFO - Saved
/tmp/eon_tutorial_pmm0wlir/plots/min_profile.png
--> Using active interpreter (readcon/plot stack present or --dev)
2D optimization landscape¶
One landscape for this job only. Each trajectory defines its own RMSD basis
on a (s, d) frame. The title and strip use the --label.
min_landscape = plot_dir / "min_landscape.png"
run_rgpycrumbs(
"eon", "plt-min",
"--job-dir", str(min_dir),
"--label", "vinyl alcohol",
"--prefix", "minimization",
"--plot-type", "landscape",
"--project-path",
"--surface-type", "grad_imq",
"--plot-structures", "endpoints",
"--strip-renderer", "xyzrender",
"--strip-dividers",
"--xyzrender-config", "paton",
"--rotation", "90x,0y,0z",
"--dpi", "150",
"--output", str(min_landscape),
)
show_plot(min_landscape)
$ /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 -m rgpycrumbs.cli eon plt-min --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type landscape --project-path --surface-type grad_imq --plot-structures endpoints --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_landscape.png
--> Dispatching to: /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/lib/python3.12/site-packages/rgpycrumbs/eon/plt_min.py --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type landscape --project-path --surface-type grad_imq --plot-structures endpoints --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_landscape.png
[10/05/26 15:44:57] INFO INFO - Loading minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization
INFO INFO - Using minimization metrics from frame
metadata (17 rows)
INFO INFO - Loaded 17 frames, 17 data rows
INFO INFO - Loaded minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization (17 frames)
INFO INFO - Setting global rcParams for ruhi theme
WARNING WARNING - Font 'Atkinson Hyperlegible' not found.
Falling back to 'sans-serif'.
[10/05/26 15:44:58] INFO INFO - Calculating landscape coordinates (RMSD-A,
RMSD-B)...
INFO INFO - Generating 2D surface using grad_imq
(Projected: True)...
INFO INFO - Unable to initialize backend 'tpu':
INTERNAL: Failed to open libtpu.so: libtpu.so:
cannot open shared object file: No such file or
directory
[10/05/26 15:45:05] INFO INFO - Loading /tmp/tmpaitalhci.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpyvk14mdz.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:06] INFO INFO - Saved
/tmp/eon_tutorial_pmm0wlir/plots/min_landscape.png
--> Using active interpreter (readcon/plot stack present or --dev)
Convergence panel¶
min_convergence = plot_dir / "min_convergence.png"
run_rgpycrumbs(
"eon", "plt-min",
"--job-dir", str(min_dir),
"--label", "vinyl alcohol",
"--prefix", "minimization",
"--plot-type", "convergence",
"--dpi", "150",
"--output", str(min_convergence),
)
show_plot(min_convergence)
$ /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 -m rgpycrumbs.cli eon plt-min --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type convergence --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_convergence.png
--> Dispatching to: /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/lib/python3.12/site-packages/rgpycrumbs/eon/plt_min.py --job-dir /tmp/eon_tutorial_pmm0wlir/minimization --label vinyl alcohol --prefix minimization --plot-type convergence --dpi 150 --output /tmp/eon_tutorial_pmm0wlir/plots/min_convergence.png
[10/05/26 15:45:08] INFO INFO - Loading minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization
INFO INFO - Using minimization metrics from frame
metadata (17 rows)
INFO INFO - Loaded 17 frames, 17 data rows
INFO INFO - Loaded minimization trajectory from
/tmp/eon_tutorial_pmm0wlir/minimization (17 frames)
INFO INFO - Setting global rcParams for ruhi theme
WARNING WARNING - Font 'Atkinson Hyperlegible' not found.
Falling back to 'sans-serif'.
[10/05/26 15:45:09] INFO INFO - Saved
/tmp/eon_tutorial_pmm0wlir/plots/min_convergence.pn
g
--> Using active interpreter (readcon/plot stack present or --dev)
Nudged elastic band¶
We run an OCI-NEB calculation on the vinyl alcohol -> acetaldehyde keto-enol tautomerization using PET-MAD.
Energy profile¶
neb_profile = plot_dir / "neb_profile.png"
run_rgpycrumbs(
"eon", "plt-neb",
"--input-dat-pattern", str(neb_dir / "neb_*.dat"),
"--con-file", str(neb_dir / "neb.con"),
"--ira-kmax", "14",
"--force-recompute",
"--plot-type", "profile",
"--highlight-last",
"--show-pts",
# Full band strip (use crit_points for a lighter R/SP/P-only strip).
"--plot-structures", "all",
"--strip-renderer", "xyzrender",
"--strip-dividers",
"--xyzrender-config", "paton",
"--rotation", "90x,0y,0z",
"--show-legend",
"--title", "Vinyl alcohol NEB path optimization",
"--dpi", "150",
"--output-file", str(neb_profile),
)
show_plot(neb_profile)
$ /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 -m rgpycrumbs.cli eon plt-neb --input-dat-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat --con-file /tmp/eon_tutorial_pmm0wlir/neb/neb.con --ira-kmax 14 --force-recompute --plot-type profile --highlight-last --show-pts --plot-structures all --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --show-legend --title Vinyl alcohol NEB path optimization --dpi 150 --output-file /tmp/eon_tutorial_pmm0wlir/plots/neb_profile.png
--> Dispatching to: /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/lib/python3.12/site-packages/rgpycrumbs/eon/plt_neb.py --input-dat-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat --con-file /tmp/eon_tutorial_pmm0wlir/neb/neb.con --ira-kmax 14 --force-recompute --plot-type profile --highlight-last --show-pts --plot-structures all --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --show-legend --title Vinyl alcohol NEB path optimization --dpi 150 --output-file /tmp/eon_tutorial_pmm0wlir/plots/neb_profile.png
[10/05/26 15:45:23] INFO INFO - Setting global rcParams for ruhi theme
WARNING WARNING - Font 'Atkinson Hyperlegible' not found.
Falling back to 'sans-serif'.
INFO INFO - Reading structures from
/tmp/eon_tutorial_pmm0wlir/neb/neb.con
INFO INFO - Loaded 19 structures.
INFO INFO - Searching for files with pattern:
'/tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat'
INFO INFO - Found 169 file(s).
[10/05/26 15:45:24] INFO INFO - Loading /tmp/tmpyc4q6_ue.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp0kx2aa9v.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmph7804237.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpl7bflzy5.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpqauq2604.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:25] INFO INFO - Loading /tmp/tmpowuka4_e.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpcbsgmegp.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmpx_w9oj15.xyz
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmphvosptgh.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpnw72ig02.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:26] INFO INFO - Loading /tmp/tmp76wqybpq.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmplmq5l0jp.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp4rc1d0_3.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp7po0w7g3.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmppwire4lm.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:27] INFO INFO - Loading /tmp/tmp1_7dwvga.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmptce4cnpx.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpe6t2pbwh.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmp4ts675tr.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:28] INFO INFO - Profile content layout: main=3.55 in,
strip=1.95 in, figsize=(6.40, 6.91)
--> Using active interpreter (readcon/plot stack present or --dev)
2D reaction landscape¶
neb_landscape = plot_dir / "neb_landscape.png"
run_rgpycrumbs(
"eon", "plt-neb",
"--input-dat-pattern", str(neb_dir / "neb_*.dat"),
"--input-path-pattern", str(neb_dir / "neb_path_*.con"),
"--con-file", str(neb_dir / "neb.con"),
"--ira-kmax", "14",
"--force-recompute",
"--plot-type", "landscape",
"--rc-mode", "path",
"--landscape-mode", "surface",
"--surface-type", "grad_imq",
"--show-pts",
"--highlight-last",
# Full history for the GP surface; 1:1 Å (s, d) panel via --project-path.
"--landscape-path", "all",
"--project-path",
"--plot-structures", "all",
"--strip-renderer", "xyzrender",
"--strip-dividers",
"--xyzrender-config", "paton",
"--rotation", "90x,0y,0z",
"--show-legend",
"--title", "Vinyl alcohol NEB-RMSD surface",
"--dpi", "150",
"--output-file", str(neb_landscape),
)
show_plot(neb_landscape)
$ /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 -m rgpycrumbs.cli eon plt-neb --input-dat-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat --input-path-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_path_*.con --con-file /tmp/eon_tutorial_pmm0wlir/neb/neb.con --ira-kmax 14 --force-recompute --plot-type landscape --rc-mode path --landscape-mode surface --surface-type grad_imq --show-pts --highlight-last --landscape-path all --project-path --plot-structures all --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --show-legend --title Vinyl alcohol NEB-RMSD surface --dpi 150 --output-file /tmp/eon_tutorial_pmm0wlir/plots/neb_landscape.png
--> Dispatching to: /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/bin/python3.12 /home/runner/work/eOn/eOn/.pixi/envs/docs-mta/lib/python3.12/site-packages/rgpycrumbs/eon/plt_neb.py --input-dat-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat --input-path-pattern /tmp/eon_tutorial_pmm0wlir/neb/neb_path_*.con --con-file /tmp/eon_tutorial_pmm0wlir/neb/neb.con --ira-kmax 14 --force-recompute --plot-type landscape --rc-mode path --landscape-mode surface --surface-type grad_imq --show-pts --highlight-last --landscape-path all --project-path --plot-structures all --strip-renderer xyzrender --strip-dividers --xyzrender-config paton --rotation 90x,0y,0z --show-legend --title Vinyl alcohol NEB-RMSD surface --dpi 150 --output-file /tmp/eon_tutorial_pmm0wlir/plots/neb_landscape.png
[10/05/26 15:45:30] INFO INFO - Setting global rcParams for ruhi theme
WARNING WARNING - Font 'Atkinson Hyperlegible' not found.
Falling back to 'sans-serif'.
[10/05/26 15:45:31] INFO INFO - Reading structures from
/tmp/eon_tutorial_pmm0wlir/neb/neb.con
INFO INFO - Loaded 19 structures.
INFO INFO - Searching for files with pattern:
'/tmp/eon_tutorial_pmm0wlir/neb/neb_*.dat'
INFO INFO - Found 169 file(s).
INFO INFO - Searching for files with pattern:
'/tmp/eon_tutorial_pmm0wlir/neb/neb_path_*.con'
INFO INFO - Found 169 file(s).
INFO INFO - Computing Landscape data...
[10/05/26 15:45:35] INFO INFO - Saving Landscape cache to
.neb_landscape.parquet...
INFO INFO - Calculated heuristic RBF smoothing: 0.1521
INFO INFO - Generating 2D surface using grad_imq
(Projected: True)...
WARNING WARNING - More than 1000 points, switching to
Nystrom
[10/05/26 15:45:36] INFO INFO - Unable to initialize backend 'tpu':
INTERNAL: Failed to open libtpu.so: libtpu.so:
cannot open shared object file: No such file or
directory
[10/05/26 15:45:38] WARNING WARNING - Looks like you are using a tranform that
doesn't support FancyArrowPatch, using ax.annotate
instead. The arrows might strike through texts.
Increasing shrinkA in arrowprops might help.
[10/05/26 15:45:39] INFO INFO - Loading /tmp/tmpk35r_kz_.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmppmk8iswj.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp_qghwt2_.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpsrni9ykl.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmpayecc88y.xyz
INFO INFO - Built graph: 8 atoms, 8 bonds
[10/05/26 15:45:40] INFO INFO - Loading /tmp/tmp67xtevmg.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpf1exu62x.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpz1niya2q.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpdxj04qn6.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpkr_rjwvq.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
[10/05/26 15:45:41] INFO INFO - Loading /tmp/tmpi5myl1or.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpt9sls6_5.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp8qrj8evq.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmprs6krs64.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpx0r8jpg5.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:42] INFO INFO - Loading /tmp/tmp1r_tt8ek.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmp7wuk45a0.xyz
INFO INFO - Built graph: 8 atoms, 7 bonds
INFO INFO - Loading /tmp/tmpoyuy7m90.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give -1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 8 bonds
INFO INFO - Loading /tmp/tmpk4yi7571.xyz
WARNING WARNING - Stated charge +0, but the bond orders
give +1; formal charges follow the structure
INFO INFO - Built graph: 8 atoms, 7 bonds
[10/05/26 15:45:43] INFO INFO - Set 1:1 (s,d) square panel: Δs=Δd=1.801 Å
(s=[-0.392, 1.409], d=[-0.901, 0.901]);
strip_rows=4; figsize=(8.35, 10.48) in
--> Using active interpreter (readcon/plot stack present or --dev)
See also¶
For producing your own NEB trajectories beyond this tutorial:
Real systems for documentation — built-in Morse Pt NEB, LJ minimization, and Pt saddle systems (recommended for docs / CI)
The
eon-pet-nebexample in the lab-cosmo/atomistic-cookbook: a PET-MAD NEB example that uses ASE for path setup. This is the canonical metatomic-consumer integration test for eOn.HaoZeke/eon_orchestrator: Snakemake-orchestrated workflow for batches of NEB calculations with PET-MAD, including IRA pre-alignment, endpoint minimization, energy profiles, and 2D RMSD landscapes. The vinyl alcohol config used in this tutorial is taken from
examples/vinyl_alcohol/.
Further reading¶
rgpycrumbs documentation for advanced options (structure rendering, multiple trajectory overlays, custom themes)
Minimization and Saddle search for output file details
Dictionary-Style Configuration for programmatic configuration