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Release 1.4.0#27

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dnkats merged 1 commit into
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release/v1.4.0
May 31, 2026
Merged

Release 1.4.0#27
dnkats merged 1 commit into
mainfrom
release/v1.4.0

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@dnkats dnkats commented May 31, 2026

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Prepares the 1.4.0 release.

Changes

  • package.json: version 1.3.01.4.0 (single source of truth; npm run check-version passes and confirms it propagates to the UI via window.appVersion).
  • CHANGELOG.md: rolled [Unreleased] into ## [1.4.0] - 2026-05-31, leaving a fresh empty [Unreleased].

What's in 1.4.0

Added

  • Two-way atom selection (click atoms in the 3D structure ⟷ XYZ viewer), with one-click insertion of the selected atom list into the ElemCo.jl input editor.
  • xtb (g-xTB) integration: energy and geometry optimization of the current structure.
  • xtb constrained optimization: "relax only selected atoms (freeze the rest)" via an xtb $fix block.

Changed

  • Quiet terminal output by default (opt-in verbose via --verbose/JLMOL_DEBUG=1).
  • Internal: index.html split into css/styles.css and per-feature js/ modules (no user-facing change).

Release steps after merge

This is version/changelog only — no code changes. Once merged, the v1.4.0 tag is pushed to main, which triggers .github/workflows/release.yml to build the Windows/Linux installers and create a draft GitHub release.

🤖 Generated with Claude Code

Bump version to 1.4.0 and roll the CHANGELOG [Unreleased] section into
[1.4.0] - 2026-05-31.

Highlights: two-way atom selection (3D <-> XYZ viewer) with one-click
insertion into the ElemCo.jl editor; xtb (g-xTB) energy/optimization with
a "relax only selected atoms" constrained-optimization option; quiet
terminal output by default. Internally, index.html was split into
css/styles.css and per-feature js/ modules.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Copilot AI review requested due to automatic review settings May 31, 2026 16:12

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Pull request overview

Release preparation PR that bumps the application version from 1.3.0 to 1.4.0 and finalizes the changelog entry for the new release. The changes are limited to version metadata and documentation — no code changes are included.

Changes:

  • Bump version in package.json from 1.3.0 to 1.4.0.
  • Roll the previously [Unreleased] "Changed" content into a new ## [1.4.0] - 2026-05-31 section in CHANGELOG.md, add the "split into css/js modules" note, and leave a fresh empty [Unreleased] heading.

Reviewed changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated no comments.

File Description
package.json Version bump 1.3.0 → 1.4.0 (single source of truth).
CHANGELOG.md New [1.4.0] - 2026-05-31 section with Added/Changed entries; empty [Unreleased] preserved.

@dnkats dnkats merged commit d3a41f1 into main May 31, 2026
1 check passed
@dnkats dnkats deleted the release/v1.4.0 branch May 31, 2026 17:40
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2 participants