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Add a web viewer for monitoring and analysing SOMD2 output directories - #236

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lohedges merged 1 commit into
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feature_viewer
Oct 2, 2026
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lohedges merged 1 commit into
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feature_viewer

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@lohedges lohedges commented Oct 2, 2026

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This PR adds a basic browser-based viewer for monitoring and analysing SOMD2 simulations. Point somd2-view at one or more output directories, or run somd2 with --view, to get a live page showing progress and estimated time to completion, depictions of the perturbation's end states, the current free energy with its overlap matrix and convergence, replica exchange statistics, GCMC and terminal flip statistics, the λ and REST2 schedules, energy components, and the run configuration. It reads the files SOMD2 already writes, so it works on existing output as well as running simulations, needs no extra dependencies, and the page can be saved as a PDF for sharing.

@lohedges lohedges added the enhancement New feature or request label Oct 2, 2026
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lohedges deployed to somd2-build October 2, 2026 20:34 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:34 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:34 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:34 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:39 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:39 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:39 — with GitHub Actions Active
@lohedges
lohedges deployed to somd2-build October 2, 2026 20:39 — with GitHub Actions Active
@lohedges
lohedges merged commit 86017ec into devel Oct 2, 2026
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lohedges deleted the feature_viewer branch October 2, 2026 20:39

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somd2-build — 856a4342 Deployed Oct 2, 2026 by lohedges via build (3.11, linux) #119
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