FAIRmat-NFDI / nomad-neb-workflows
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Change README file format from rst to md (#14)

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
17852289857 develop Change README file format from rst to md (#14) push web-flow github
0.0
17732431701 develop pypi workflow, fixed ghpages workflow, adjusted pyproject.toml (#13) push web-flow github
0.0
17489034895 develop 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.archiv... push web-flow github
0.0
13920935903 develop Adding plots (#9) * Adding plot changes * Restructured test data files * Enhance NEBWorkflow class by integrating PlotSection for improved plotting capabilities * New workflow file with connection in series * Plots added and new yaml workflow... push web-flow github
32.39
11794536317 develop Redefinition NEB workflow (#6) * Deleted scf task from workflow and fixed methods Deleted unused testing files * deleted condition for energy diffs to be only positive push web-flow github
46.67
11665943150 develop deleted useless cruft update push web-flow github
44.9
9646966989 develop Merge pull request #2 from FAIRmat-NFDI/energy_diffs_extraction Energy diffs extraction push web-flow github
65.31
9642898635 develop Fixed links and cruft json push JosePizarro3 github
86.21
9642810665 develop Merge pull request #1 from FAIRmat-NFDI/adding_testing Adding testing push web-flow github
86.21
9641557236 develop Initial creation of the plugin push JosePizarro3 github
100.0
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