Conformational Search: document the threaded, stoppable search
The search now runs on a background thread with a progress bar, a Stop button
that keeps the conformers already found, and a user-settable conformer count.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
7874491
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
d68daa0
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
9602b8c
Official Plugins: an empty value greys a key, it does not lock it
A key with no value is no longer read-only in the Settings Saver editor.
Say that it is greyed and skipped, and that typing a value brings it
straight back.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
35ce05d
OPSIN page documents v1.0.0
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
fde9e48
Wiki page for OPSIN Name to Structure (v0.2.0)
Catalogue entry plus a dedicated page in both languages: the JRE requirement
up front, how to read the per-name failure reasons, and which option each one
points at.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
4b9f357
Official Plugins: Settings Saver now edits presets
Describe the Edit... dialog in both catalogues: per-key values, rename,
add/remove, and the tick that decides whether a key is applied on load
or skipped so the current value survives. Note that a key with an empty
value, or none at all, is skipped.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
1298bdb
Catalogue Group Template (v1.0.0)
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
88203ed
Job Manager v1.0.2: handoff host default, and clearing before a result opens
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
f566ccd
Point the Job Manager pages at 1.0.1
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Wgh3vc8weJcneXT3m9ujc9
1d8b57c
Point the Job Manager pages at 1.0.0
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Wgh3vc8weJcneXT3m9ujc9
b06b0d4
Point the Job Manager pages at 0.20.0
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Wgh3vc8weJcneXT3m9ujc9
fe2c93a
Point the six release-touched pages at the versions just published
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Wgh3vc8weJcneXT3m9ujc9
579a3c9
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.
653742b
Add a dedicated Job Manager wiki page (EN + JP)
Job Manager only had a catalogue-entry paragraph; it's grown enough --
four backends, the helper queue, the relay tag, batch drag-and-drop, sort
and filter -- to warrant the same full-page treatment as the other six
flagship plugins. Cross-linked from Home, the catalogue's flagship list,
its summary-table row, and its See also section in both languages.
180d81e
Document the Job Manager relay tag; bump Input Gen Pro footers
ORCA Input Generator Pro v3.7.0 and Gaussian Input Generator Pro v1.4.0
both gained a configurable Job Manager relay tag ([prevfile:.xyz] /
[prevfile:.chk]) with a Save as Default button; documented in both dialog
sections and both language variants, footers bumped to match. The Job
Manager catalogue entry now covers the relay feature (including the
auto-chain-behind-an-unfinished-job behavior) and the batch drag-and-drop /
sortable table added in v0.19.0, neither of which had reached the wiki yet.
542cfdf
Job Manager: submitting work that is already on the cluster
The catalogue entry described the plugin as uploading an input file,
which is no longer the only way it is used as of 0.9.0.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
f43a078
Drop Slab Builder's one-off Structure category, add plugin count
Structure was used only by Slab Builder; every other entry in the
catalogue categorizes under File/Analysis/DFT/Generator/Optimization/
Utility/Visualization/AI, so drop the outlier (matches the source and
registry fix in moleditpy_slab_builder / moleditpy-plugins). Also added
the total plugin count to the Summary table heading.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
fe4ca50
Catalogue the seven plugins that were only in the registry
Job Manager, Slab Builder, the VASP / Quantum ESPRESSO / CP2K input
generators, ORCA NICS Analyzer and Animated XYZ Giffer are all visible in
plugins.json but had no wiki entry. The four periodic/solid-state plugins
get their own section, since they share one design and feed each other
CIFs.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
5150431
Bring the two Input Generator Pro pages up to their current releases
ORCA Input Generator Pro is now 3.5.0 and Gaussian Input Generator Pro
1.2.0; both gained the optional "Submit to Cluster..." handoff to the Job
Manager plugin, which the pages did not mention. Job Manager has no
catalogue entry yet, so the links point at its repository.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
eb4877d
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>
91fef62
Point "Writing your own plugin" at the template repository
Adds the template as the starting point, keeps the API manual link for the API
itself, and notes that registry listing is a separate manual step.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
d623dfb
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>
4d1432a
Add Japanese counterparts for the six plugin guide pages
Full, structurally-equivalent JP translations (same headings, same
tables) for Plugin-ORCA-Input-Generator-Pro, Plugin-ORCA-Result-
Analyzer, Plugin-PySCF-Calculator, Plugin-Gaussian-Input-Generator-
Pro, Plugin-CIF-Viewer, and Plugin-PMEFF. UI labels, menu paths,
calculation keywords, file names and version numbers are kept in
English per house style. Official-Plugins.md's dedicated-guides list
and See also now link to these JP pages (Official-Plugins-JP.md
already referenced them).
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
1f770bb
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>
a8f3cfa
Remove ORCA NICS Analyzer coverage (unpublished, visible:false in registry)
Deletes the summary-table row, dedicated section, and hidden-entry note
in both the English and Japanese Official Plugins catalogue pages. NICS
Placer (a different, visible plugin) is unaffected.
Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
a644898
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>
60b055a