17489034895
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Ran 05 Sep 2025 09:16AM UTC

Jobs 1

Files 0

Run time 1min

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Committed 05 Sep 2025 09:15AM UTC coverage: 0.0% (-32.4%) from 32.394%

Build # 17489034895

Build Type

push

github

Committed by

web-flow

Commit Message

Add path calculation and Fit to NEB plot (#11)

* adding test files

* started adding positions and path distances

* updates

* added fit to plot

* Delete tests/data/workflow.archive.yaml

* Delete tests/data/NEB_testdata_Julia/workflow_4.archive.yaml

* amend test files

* preparing for tests to work

* removing not working test files

* fix file paths in test_neb.py

* update workflow files for udays dataset

* fix test for both datasets

* change python job script in data to txt file and add .volumes to gitignore

* fix ruff linting

* another ruff format fix

* fix ruff formatting

* add workflow files for testing in gui manually

* trying to fix error Cannot determine type of "tasks"  [has-type]

* ruff formatting

* start responding to comments from Joe

* changes to workflow.yaml and workflow structure, add initial system image to overview

* change input and tasks to mainfile, add visualization (still with problem)

* update test files and clean up a bit

* add name to workflow

* improvements to workflow definition: new definition of workflow inputs,  improve docstrings, bit of clean up and add system images to overview

* set entry name from formula if none is defined

* change default workflow name and set entry name; fix tests

* add type for topology for failing test

* ruff format (lots of spaces)

* started documentation

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ID	Job ID	Ran	Files	Coverage
1	17489034895.1	05 Sep 2025 09:16AM UTC	0	0.0	GitHub Action Run

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