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Bump version ci-testing #63: Commit c4943e4 pushed by BTSpeake
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Bump version ci-testing #62: Commit 18ef2f6 pushed by BTSpeake
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Enable NEB Calculations (#11) ci-testing #61: Commit b98618f pushed by BTSpeake
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Enable NEB Calculations ci-testing #60: Pull request #11 opened by BTSpeake
2m 20s BTSpeake:clf-ultra_neb_workchain
BTSpeake:clf-ultra_neb_workchain
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Batch calculation workchain (#10) ci-testing #59: Commit 5b0c0fe pushed by BTSpeake
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Batch calculation workchain ci-testing #58: Pull request #10 opened by BTSpeake
2m 0s BTSpeake:batch_calculation_from_trajectory
BTSpeake:batch_calculation_from_trajectory
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Update CITATION.cff ci-testing #57: Commit 0cfa036 pushed by BTSpeake
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Update CITATION.cff file ci-testing #56: Commit 3539e5b pushed by BTSpeake
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Bump version for bug fix ci-testing #55: Commit 1a01add pushed by BTSpeake
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Small bug fix ci-testing #54: Commit cadb28e pushed by BTSpeake
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Version bump ci-testing #53: Commit 4f47313 pushed by BTSpeake
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Fix bug in optimisation workflow node labelling ci-testing #52: Commit daff7eb pushed by BTSpeake
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Bump Version ci-testing #51: Commit 6fd6072 pushed by BTSpeake
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CLF-Ultra geometry optimisation workchain (#9) ci-testing #50: Commit 053ad1c pushed by BTSpeake
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CLF-Ultra geometry optimisation workchain ci-testing #49: Pull request #9 synchronize by BTSpeake
1m 33s BTSpeake:clf-ultra_geom_opt_workchain
BTSpeake:clf-ultra_geom_opt_workchain
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CLF-Ultra geometry optimisation workchain ci-testing #48: Pull request #9 opened by BTSpeake
1m 17s BTSpeake:clf-ultra_geom_opt_workchain
BTSpeake:clf-ultra_geom_opt_workchain
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Correctly apply the metadata to both sub jobs in the optimisation wor… ci-testing #47: Commit 7f7e905 pushed by BTSpeake
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Fix for auto generated ChemShell input bug when using d3 input (curre… ci-testing #46: Commit b018087 pushed by BTSpeake
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Update version ci-testing #45: Commit 86c256a pushed by BTSpeake
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Rework optimisation workflow to properly expose underlying CalcJob me… ci-testing #44: Commit e240303 pushed by BTSpeake
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Version update ci-testing #43: Commit e84af10 pushed by BTSpeake
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Expose optimisation workflow as an AiiDA entrypoint ci-testing #42: Commit 1a47888 pushed by BTSpeake
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Update version to 0.1.6 ci-testing #41: Commit 148338c pushed by BTSpeake
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Create Optimisation Workflow (#8) ci-testing #40: Commit 81c26a0 pushed by BTSpeake
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Create Optimisation Workflow ci-testing #39: Pull request #8 synchronize by BTSpeake
2m 59s BTSpeake:vibrational_frequency_workflow
BTSpeake:vibrational_frequency_workflow
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