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stfc / aiidalab-chemshell
22%

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DEFAULT BRANCH: main
Repo Added 21 Nov 2025 04:12PM UTC
Files 30
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  • atomic_energy_workflow
  • batch_processing_worfklow
  • documentation
  • install_chemshell_container
  • main
  • migrate_to_alc_aiidalab_widgets
  • multiple_worfklows_model
  • neb_workflow
  • process_history_page
  • smiles_string_input
  • stfc_comp_resources_page
  • structure_visualisation_with_weas
  • vibrational_analysis_workflow

23 Jul 2026 01:01PM UTC coverage: 22.388%. Remained the same
30009433264

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github

BTSpeake
Update docs navigation button link

315 of 1407 relevant lines covered (22.39%)

0.22 hits per line

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Build:
1407 RELEVANT LINES 315 COVERED LINES
0.22 HITS PER LINE
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
30009433264 main Update docs navigation button link push 23 Jul 2026 01:03PM UTC BTSpeake github
22.39
29902955207 main Update documentation push 22 Jul 2026 08:12AM UTC BTSpeake github
22.39
29902090878 main Quick Install ChemShell Code Option (#25) * Create a widget and corresponding logic for installing a containerised version of ChemShell as an AiiDA code instance * Add description tag to auto generated AiiDA code instance * Bug fix: add ipw nam... push 22 Jul 2026 07:59AM UTC web-flow github
22.39
29900824560 install_chemshell_container Merge 48dfecca2 into c28fa1481 Pull #25 22 Jul 2026 07:37AM UTC web-flow github
22.39
29833207975 main Batch processing worfklow (#24) * Update StructureSelectionWidget to handle batch/trajectory inputs * Update to use namespaced imports for aiidalab-widgets-base and ipywidgets * Setup structure wizard and model to handle batch inputs * Update ... push 21 Jul 2026 01:11PM UTC web-flow github
16.37
29833042074 batch_processing_worfklow Merge 994d6348c into 55c1b0e5e Pull #24 21 Jul 2026 01:09PM UTC web-flow github
16.37
29831508240 main Update the application's logo to the actual ChemShell logo instead of the ALC one push 21 Jul 2026 12:47PM UTC BTSpeake github
0.18
29810797103 main Improve handling of ChemShell specific node viewers push 21 Jul 2026 07:33AM UTC BTSpeake github
0.18
29502817001 main Bump version push 16 Jul 2026 01:36PM UTC BTSpeake github
0.17
29425331153 main Bug fix for structure upload via database search push 15 Jul 2026 02:51PM UTC BTSpeake github
0.17
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  • Repo on GitHub
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