Results

The standard final-results bundle lives in proj-0/systems/final-results/:

$ vmd final.viz.psf final.gro -e final.viz.tcl

Diagnostic-log plots:

$ htpolynet plots diag --diags diagnostics.log

The output figures land in proj-0/plots/. Compared to the DGEBA/PACM run, expect:

  • A similar overall conversion-vs-wall-clock shape — the late iterations dominate the tail.

  • A slightly higher setup share in profile.json because of the aromatic-heterocycle type-perception overhead.

  • A network density in the same ballpark as DGEBA/PACM (~1.0–1.1 g/cm³ after postcure), though the exact number depends on the run’s equilibration discipline.

For full system-build traces:

$ htpolynet plots build --proj proj-0 --buildplot t --traces t d p

Try it

A useful exercise on this system: run it twice, once with CURE.controls.min_bonds_per_iteration: 1 and once with the default min_bonds_per_iteration: 10, and compare:

  • total wall time;

  • total number of CURE iterations;

  • the breakdown of cure/iter-* wall times in profile.json.

Because the late-iteration “one bond per iteration” regime is particularly long-tailed in this system, this is a good showcase for why the default isn’t 1.

A note on figures

This tutorial doesn’t yet ship the before/after molecular snapshots that examples 2 and 3 do. If you run the example and produce informative VMD renders or build-trace plots, drop them into docs/source/example-tutorials/4-dfda-fde-epoxy-thermoset/pics/ and add .. figure:: blocks where they fit.