[pull] develop from lammps:develop#158
Merged
Merged
Conversation
Extend the "bond" keyword of the dump image command to accept a /local compute reference (c_ID or c_ID[N]) in addition to atom/type/none, so each bond can be colored by a per-bond quantity such as its length or energy (e.g. from compute bond/local). A third Image color map (index 2) is added and configured with a new "dump_modify bmap" keyword, mirroring amap (atoms) and gmap (grid cells). The per-bond value is mapped to a color via the bond color map exactly as per-atom attributes are mapped via amap. compute bond/local and the dump image bond loop iterate the bond topology identically (local atoms, then bond slots, with the same newton_bond and deleted-bond skips), so the n-th drawn bond is the n-th compute row. This requires the compute to select the same bonds as the dump (normally group "all"); a row-count check stops with a clear error otherwise. The per-bond values are local to each rank, so no extra communication is needed. Add documentation and two examples: a new self-contained examples/GRAPHICS/in.bpm-fracture (a BPM disk shattered by a projectile, its bonds colored by force through a matplotlib-style "plasma" color map) and a commented-out dump image command in examples/bpm/impact/in.bpm.impact.spring. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_019nii2NLXtpCD2oqS4rrYAX
GRAPHICS: color dump image bonds by a per-bond compute value
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to subscribe to this conversation on GitHub.
Already have an account?
Sign in.
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
See Commits and Changes for more details.
Created by
pull[bot] (v2.0.0-alpha.4)
Can you help keep this open source service alive? 💖 Please sponsor : )