FAIRmat-NFDI / nomad-neb-workflows / 13459806291

Builds Branch Commit Type Ran Committer Via Coverage
13459806291 8-add-energy-path-plot Custom Unit added to change from 'Electron_volt' to 'eV'. Unfortunately. Needed to Hardcode a bit because of pint has similar long unit style. Pull #9 u-gajera github
32.39
13458616712 8-add-energy-path-plot Fix to workflow entry name Pull #9 hampusnasstrom github
34.85
13458130363 8-add-energy-path-plot Name changed couldn't do it. Need to see if there is any variable name for the compound. Name from files is not working. Pull #9 u-gajera github
32.86
13454656570 8-add-energy-path-plot Update scatter plot labels for clarity Pull #9 u-gajera github
36.51
13416840193 8-add-energy-path-plot Removed unused subsection Pull #9 hampusnasstrom github
36.51
13366739305 8-add-energy-path-plot ruff checked Pull #9 u-gajera github
39.39
13355329752 8-add-energy-path-plot Trying to add the additional naming for the NEB test Pull #9 u-gajera github
39.39
13347355712 8-add-energy-path-plot Trying to add dynamic naming Pull #9 u-gajera github
39.39
13346038020 8-add-energy-path-plot Added lines to the scatter plots Pull #9 u-gajera github
37.68
13345950315 8-add-energy-path-plot Plots added and new yaml workflow file for better representation Pull #9 u-gajera github
38.24
13345935596 8-add-energy-path-plot New workflow file with connection in series Pull #9 u-gajera github
38.1
13332920214 8-add-energy-path-plot Enhance NEBWorkflow class by integrating PlotSection for improved plotting capabilities Pull #9 hampusnasstrom github
38.1
13332868527 8-add-energy-path-plot Restructured test data files Pull #9 hampusnasstrom github
37.1
13330530166 8-add-energy-path-plot Adding plot changes push u-gajera github
37.1
13237541470 8-add-energy-path-plot 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