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CatGo v1.3.3

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@github-actions github-actions released this 24 Jun 06:54
· 28 commits to main since this release
v1.3.3
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Learn about vigilant mode.

CatGo v1.3.3 focuses on making the visual workflow engine actually run end to end, hardening CatBot, and refreshing the docs. All platform builds are attached below.

Highlights

  • Teaching workflow templates now run end to end. The editor's demo templates — band structure, surface energy, adsorption screening, elastic tensor, MLP phonon, the HER/OER/ORR/NRR/CO₂RR catalysis recipes, NEB, and more — execute locally with an MLP or route correctly to HPC and produce real per-node results. This fixes fan-out generators, calc → MLP routing, free-energy diagrams, generic analysis nodes, and several silent "completed-but-empty" failures.
  • VASP NEB multi-image input generation. neb nodes now generate proper image subdirectories (00…0N) plus the NEB INCAR tags (IMAGES / IBRION / SPRING / LCLIMB) on both the local-preview and HPC paths, with the product endpoint resolved from a second structure input.
  • CatBot reliability. The Claude Code provider reads ~/.claude/settings.json env as a fallback (fixes blank replies behind a local proxy), and SDK tool-permission cards no longer hang on "Thinking…" after you click Allow.
  • Redesigned English & Chinese READMEs with clearer onboarding, a version-proof download table, an AI-agent build path, and the iOS TestFlight beta link.

Workflow engine

  • Fan-out generators (loop / doping_gen / batch_*) bridge their structures to downstream calc nodes; MLP batch results re-fan so geo_opt → single_point/freq chains no longer collapse to a single structure.
  • Added (single_point / freq / cell_opt → MLP) routing and registered mlp_single_point / mlp_vibrations / mlp_neb.
  • free_energy is routed to its analysis handler (it was a no-op that left every recipe's final node empty).
  • execute_local_node re-raises on failure, so errors surface as FAILED instead of a false "completed".
  • Adsorbate-only freeze for frequency calculations in catalysis recipes (#407, #412).
  • JobScriptParams accepts potcar_root / potcar_functional, and potcar_root is read from hpc.job_defaults (#411, #409).
  • Reset clears a stale hpc_job_id / work_dir so a re-run submits fresh (#408).
  • A locked slab_gen structure is honored for HPC instead of being regenerated (#406).
  • batch_submitter resolves base_work_dir (#416).
  • Running a workflow no longer returns a 500 from a broken log pipe or CORS-less error (#404).
  • MLP nodes no longer show irrelevant VASP parameters (kpoints, ENCUT, …) in the editor.

Viewer & analysis

  • Charge / COHP remote import, cube periodicity, and slice-plane UX (#403).
  • DOS: parse adjacent signed PROCAR floats (#402).

HPC & platform

  • Support conn.run(input=) on the subprocess-SSH and local runners (#405).
  • Bind fetch to globalThis for managed downloads on WebKitGTK (#400).
  • Terminal left inset so xterm content is not flush against the pane edge (#401).

Downloads

System File
Windows CatGo_1.3.3_x64-setup.exe · CatGo_1.3.3_x64_en-US.msi
macOS (Apple Silicon) CatGo_1.3.3_aarch64.dmg
Linux CatGo_1.3.3_amd64.deb · CatGo-1.3.3-1.x86_64.rpm
Android CatGo-v1.3.3-android-universal.apk
iOS CatGo-v1.3.3-ios-arm64.ipa · TestFlight beta
VS Code catgo-1.3.3.vsix (also on the Marketplace)
Server / HPC catgo-server-* binaries · catgo-hpc-bundle.tar.gz

Full changelog: v1.3.2...v1.3.3

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