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History / Plugin ORCA Result Analyzer

Revisions

  • Add Camera Position Setter page; refresh three stale plugin pages Camera Position Setter had no wiki page despite being in the registry, which check_wiki_versions.py was flagging as absent from both catalogues. It now has a dedicated EN+JP walkthrough (ninth plugin to get one) covering standard views, numeric coordinates, orbital nudge, the global-vs-project bookmark split, and clipboard interchange with PyVista. The centering section documents which selection the plugin reads, since that is easy to get wrong: Center on Selected Atoms takes the 3D viewport selection and deliberately ignores the 2D sketch selection. v1.2.0 fixed a bug where it read the 2D selection only and so did nothing after a 3D pick, so the page says what to check if the button appears dead. Three pages had drifted behind the registry: - Job Manager 1.0.2 -> 1.1.3 gains a Chat alerts section. A webhook posts a finished job to Slack/Discord/Teams, since the notification worth having is for the overnight run nobody is sitting through. Documents the payload key differing by service, the http/https-only restriction, and the two deliberate asymmetries: the tick cannot be set before a room is configured, and saving a URL does not switch it on, though clearing one switches it off. - OPSIN 1.0.0 -> 1.0.1 and ORCA Result Analyzer 3.15.0 -> 3.15.4 are version stamps only. Verified there was nothing user-visible to write: OPSIN swapped add_plugin_menu for the host-registered run() entry point, leaving the menu location unchanged, and the ORCA releases only moved where the dialog opens, which the page never described. check_wiki_versions.py now reports only Group Template, whose source is ahead of the registry -- normal for an unreleased bump. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01FZgRtkr6UxHL25EFXiE6c9

    @HiroYokoyama HiroYokoyama committed Aug 26, 2026
  • ORCA Result Analyzer: document the optional NICS Analysis entry (v3.15.0) Adds a NICS subsection (EN + JP) covering the new Analysis > NICS Analysis... hand-off and the fact that the entry hides itself while the ORCA NICS Analyzer plugin is not installed, links that plugin's repo from See also, and moves the footer to v3.15.0 / 2026-08-23. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_011kbdkUQkWijibC45Zr6mZr

    @HiroYokoyama HiroYokoyama committed Aug 23, 2026
  • Bump ORCA Result Analyzer to v3.14.2, document the dipole-change tab Wiki footer was stuck at 3.13.3. Since then the Frequencies window's 3D Vector Appearance box split into Mode Vectors / Dipole Change tabs (each IR-active mode's transition dipole derivative, drawn once from the centroid), and loading now shows a progress dialog with the window title tracking the actually-open file.

    @HiroYokoyama HiroYokoyama committed Aug 18, 2026
  • Move version info from page headers to a footer note Version numbers at the top of a page read as current state and go stale silently. The six plugin guides now state, at the bottom, which version the page was written against and when; the catalogue drops its Version column entirely and points at REGISTRY/plugins.json for live versions. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>

    @HiroYokoyama HiroYokoyama committed Aug 11, 2026
  • Fix cross-wiki links: use full URLs for main-app-wiki pages Using Plugins, File Formats and Import/Export, and Tips for force-field selection in 3D optimization live in python_molecular_editor.wiki, not here. They were linked with relative ./Page-Name syntax, which resolves against this wiki and produced a 404 on GitHub. House style requires full https URLs for cross-wiki links; relative ./Page-Name is reserved for pages that actually live in this repo. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>

    @HiroYokoyama HiroYokoyama committed Aug 5, 2026
  • House style + content fixes for Home and the six plugin guides Style (house style rules): fixed bold-markup headings on Home.md; added an identity table (version/author/OS/Python/menu/deps) to the top of each of the six Plugin-*.md guides, replacing the bullet list; added JP guide links to Home.md's nav ahead of their creation. Content fixes found by diffing against the plugin source: - ORCA Input Generator Pro: Job Type dropdown was missing 4 real entries (Optimize H Only, GOAT, NEB, MD) and the NEB Variant list was untabulated; Basis Set dropdown was missing the Jensen (pc-*) family, NMR-specific EPR-II/III & IGLO-II/III basis sets, and the def2 diffuse/minimally-augmented variants. - Gaussian Input Generator Pro: DFT method list was missing B3PW91, plain wB97, and M06HF; MP4 variants (SDQ/SDTQ) were collapsed. - CIF Viewer: the dock panel actually has five tabs, not four — added the missing Info tab (space group/cell/refinement-statistics readout plus the Simulate Powder Pattern (XRD) action) as a new section. - PMEFF: the Settings dialog has five toggles, not four — added the missing "Polar bond contraction" term; fixed the Metal Geometry Override button's ellipsis character to match the real UI string. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>

    @HiroYokoyama HiroYokoyama committed Aug 5, 2026
  • Move official plugin documentation here from the main app wiki Each project should carry its own reference: the plugin catalogue and the six per-plugin guides describe this repository's contents, not the editor, so they belong with the plugins. The main app wiki now links here instead, and keeps only Using Plugins, which is about the plugin system rather than any plugin. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>

    @HiroYokoyama HiroYokoyama committed Aug 5, 2026