stfc / janus-core / 14775309018

Builds Branch Commit Type Ran Committer Via Coverage
14775309018 main Rename model path (#528) * Rename model_path model * Update tests for model name change * Update docs for model name change * Update tutorials for model name change * Remove model from test calc_kwargs * Update model docstrings * Add deprec... push web-flow github
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14726837345 add-invenio-repo-class Merge 2c26c5f38 into a2b4bef4b Pull #451 web-flow github
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14713153733 main Tidy NEB error handling and tests (#530) push web-flow github
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14713136745 main Run CLI tutorials (#517) * Fix singlepoint CLI tutorial data * Remove CLI tutorial outputs push web-flow github
93.48
14712836567 rename-model-path Merge 5489c6d1f into 7b44d9402 Pull #528 web-flow github
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14712464632 remove-default-arch Merge b24baee5d into 7b44d9402 Pull #532 web-flow github
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14667315013 main Add MD progress bar (#521) * Add MD progress bar as class * Add progress bars for temperature steps * Remove references to struct_path * Change default progress bar update frequency * Update tests * Show all bars * Refactor heating and MD ... push web-flow github
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14666356265 rename-model-path Merge 202be83bf into 860a019cb Pull #528 web-flow github
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14666306767 tidy-neb Merge f61ae7adc into 860a019cb Pull #530 web-flow github
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14626354187 plumed Merge ebab97ce2 into 6e419276f Pull #526 web-flow github
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14664517190 main Rename NEB structures input (#529) * Rename NEB structures input * Update docs for renamed NEB input * Update tests for renamed NEB input * Update NEB structures docstrings push web-flow github
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14664054445 tidy-neb Merge 0bfbcaadc into 6fd9070c2 Pull #530 web-flow github
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14639943950 main Fix error catching in tests (#527) push web-flow github
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14623987077 rename-neb-band Merge e85056cb1 into 6e419276f Pull #529 web-flow github
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14623366500 rename-model-path Merge 9a0f8a45c into 6e419276f Pull #528 web-flow github
93.39