stfc / alc-dls-exafs
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coverage: 70.796%. Remained the same
19739688897

Pull #44

github

Kane Shenton 
Set default exchange to "0 0 0" instead of just 0
Pull Request #44: Set default exchange to "0 0 0" instead of just 0

1503 of 2123 relevant lines covered (70.8%)

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Builds Branch Commit Type Ran Committer Via Coverage
19739688897 update-default-exchange-in-feff-configs Set default exchange to "0 0 0" instead of just 0 Pull #44 Kane Shenton github
70.8
19245476578 main Use imaginary part of χ(k) (second column of chi.dat) for ensemble av… (#43) * Use imaginary part of χ(k) (second column of chi.dat) for ensemble averaging * Update tests for new chi handling * Wrap long line in test_feff_utils.py * Trigger CI... push web-flow github
70.8
19244043953 main Merge a02b34f3c into 9c2e2b55e Pull #43 web-flow github
70.8
19243892171 main Merge afa4aa709 into 9c2e2b55e Pull #43 web-flow github
70.8
19243787362 main Merge 068291f60 into 9c2e2b55e Pull #43 web-flow github
70.8
19243514990 main Merge cb36fdd3e into 9c2e2b55e Pull #43 web-flow github
70.8
18728085905 main Reuse potentials (#42) * Add trajectory average structure function + tests * add criteria feff card supprt * Add option to re-use potentials from an initial structure. Also clean up actual feff calculation calls. --------- Co-authored-by: Kan... push web-flow github
70.75
18726087418 reuse_potentials Merge 425680bd8 into 24a91d694 Pull #42 web-flow github
70.75
18725882794 reuse_potentials Add option to re-use potentials from an initial structure. Also clean up actual feff calculation calls. push Kane Shenton github
70.75
18652483451 main Merge pull request #41 from stfc/validation_fix correct SCF ca validation push web-flow github
71.74
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