CatGo v1.4.9

CatGo 1.4.9

CatGo 1.4.9 makes large trajectory work fast and editable across the web app,
desktop app, VS Code, and Antigravity. It also adds physics-aware verification
for CatBot numerical results, per-pane structure-toolbar customization, and a
periodic-aware JavaScript bond fallback for frontend-only sessions.

Highlights

• Fast trajectories on every CatGo surface — indexed structure-only
  streaming avoids eagerly loading full multi-frame files and keeps the same
  trajectory behavior across browser, desktop, VS Code, and Antigravity.
• Edits remain valid across changing frame topologies — add or remove atoms,
  continue playback, save the edited trajectory as extXYZ, or export every
  selected frame as a separate POSCAR.
• CatBot checks the physics, not only process exit codes — catgo_verify
  records provenance and applies workflow-consistency and scientific gates
  before numerical results can be trusted or submitted onward.
• A structure toolbar that fits each pane — collapse it, choose individual
  tools, restore defaults, and retain open tool panels even when their buttons
  are hidden.

Added

Cross-platform trajectory workflow

• Added indexed readers and frame streaming for supported text, compressed,
  ASE, HDF5, and JSON trajectory families without making the UI parse every
  frame up front.
• Added a structure-only default path for responsive initial loading while
  frame metadata and plot data remain lazy.
• Added variable-topology edit tracking so each frame can carry its actual atom
  count after atoms are added or deleted.
• Added edited extXYZ saving and per-frame POSCAR export from the trajectory
  export panel.

Physics verification

• Added provenance and verifiability checks for claimed numerical quantities;
  absent or empty evidence cannot silently certify a result.
• Added targeted gates for common silent-failure classes, including inconsistent
  reference energies, stale convergence claims, invalid vibrational data,
  scheduler/result disagreement, and implausible electrochemical outputs.
• Added cross-step workflow checks and verification coverage accounting. An
  empty all-skipped verification does not clear an unverified session.
• Added submission enforcement so numerical tools mark a session unverified and
  HPC submission remains blocked until a real verification gate has run.

Structure tools

• Added per-pane toolbar collapse and per-tool visibility with persisted
  preferences, legacy-key migration, responsive settings, capability filtering,
  accessibility labels, bilingual strings, and one-click default restoration.

Fixed

Trajectory editing and interaction

• Fixed playback after atom deletion or insertion and invalid frame payloads
  caused by assuming that every frame has the original atom count.
• Fixed atom and bond picking in trajectory views, ordered three-atom angle
  measurement, and pointer cleanup that could rotate the whole structure after
  an atom selection.
• Fixed stale topology and bond caches after editing, including transitions
  between frames with different atom counts.
• Improved analytic bond joins and paused-frame supersampling while retaining
  native-device-pixel-ratio rendering during playback.

Periodic bond fallback

• Made the JavaScript bond path periodic-boundary aware for orthogonal and
  skewed cells, including self-image bonds and parity with the WASM cutoff and
  atomic-radius rules.
• Prevented frontend-only or temporarily unavailable-backend sessions from
  caching non-periodic bond results for periodic structures.

Documentation

• Corrected the canonical CatGo acknowledgement URL to
  https://app.catgo-ucsd.org throughout active documentation and release
  metadata.

Upgrade notes

• No project, structure-file, or workflow-data migration is required.
• Existing toolbar preferences migrate automatically; use Restore defaults
  in toolbar settings if you want the new standard layout.
• Edited variable-topology trajectories should be saved as extXYZ. POSCAR export
  writes one independent structure file per frame.
• CatBot sessions that produce numerical scientific results may now require a
  successful catgo_verify run before HPC submission. This is an intentional
  safety gate, not a job failure.

Included pull requests

• #566 — Correct the CatGo
  citation URL.
• #567 — Stream trajectories
  across platforms and harden editing, export, interaction, and rendering.
• #546 — Add the CatBot
  physics-verification layer and guarded submission flow.
• #568 — Add the collapsible,
  customizable structure toolbar and periodic-aware JavaScript bond fallback.

Downloads

• Windows — .msi or -setup.exe
• macOS — .dmg for Apple Silicon
• Linux — .deb or .rpm
• Android — CatGo-v*-android-universal.apk
• iOS — TestFlight beta

License and citation

CatGo 1.4.9 distributions use AGPL-3.0-or-later.

If CatGo contributes to your work, please include this acknowledgement and the
preferred citation:

This work used CatGo (https://app.catgo-ucsd.org).

Please cite DOI
10.26434/chemrxiv.15002984/v1.
This request is not an additional condition of the AGPL license. Third-party
materials retain their own terms.

Historical AGPL grants remain in effect.

See the
CHANGELOG
for the complete release history.