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Correctly apply the metadata to both sub jobs in the optimisation wor… ci-release #37: Commit 7f7e905 pushed by BTSpeake
43s v0.1.10
v0.1.10
43s
Correctly apply the metadata to both sub jobs in the optimisation wor… ci-release #36: Commit 7f7e905 pushed by BTSpeake
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Fix for auto generated ChemShell input bug when using d3 input (curre… ci-release #35: Commit b018087 pushed by BTSpeake
40s v0.1.9
v0.1.9
40s
Fix for auto generated ChemShell input bug when using d3 input (curre… ci-release #34: Commit b018087 pushed by BTSpeake
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Update version ci-release #33: Commit 86c256a pushed by BTSpeake
41s v0.1.8
v0.1.8
41s
Update version ci-release #32: Commit 86c256a pushed by BTSpeake
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Rework optimisation workflow to properly expose underlying CalcJob me… ci-release #31: Commit e240303 pushed by BTSpeake
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Version update ci-release #30: Commit e84af10 pushed by BTSpeake
41s v0.1.7
v0.1.7
41s
Version update ci-release #29: Commit e84af10 pushed by BTSpeake
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Expose optimisation workflow as an AiiDA entrypoint ci-release #28: Commit 1a47888 pushed by BTSpeake
48s v0.1.6
v0.1.6
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Expose optimisation workflow as an AiiDA entrypoint ci-release #27: Commit 1a47888 pushed by BTSpeake
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Update version to 0.1.6 ci-release #26: Commit 148338c pushed by BTSpeake
42s v0.1.6
v0.1.6
42s
Update version to 0.1.6 ci-release #25: Commit 148338c pushed by BTSpeake
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Create Optimisation Workflow (#8) ci-release #24: Commit 81c26a0 pushed by BTSpeake
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Fix DOI badge in README ci-release #23: Commit f9ac5c7 pushed by BTSpeake
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Update version to 0.1.5 ci-release #22: Commit 3695bd5 pushed by BTSpeake
44s v0.1.5
v0.1.5
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Update version to 0.1.5 ci-release #21: Commit 3695bd5 pushed by BTSpeake
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Optimised structure as cjson (#7) ci-release #20: Commit ad69ad0 pushed by BTSpeake
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Test suite improvements (#6) ci-release #19: Commit be898f6 pushed by BTSpeake
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Reformat directory structure (#4) ci-release #18: Commit ac66435 pushed by BTSpeake
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Minor clarification of README paths (#1) ci-release #17: Commit 8741081 pushed by BTSpeake
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Bump version to 0.1.4 to release with updated license ci-release #16: Commit 6259ef9 pushed by BTSpeake
48s v0.1.4
v0.1.4
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Bump version to 0.1.4 to release with updated license ci-release #15: Commit 6259ef9 pushed by BTSpeake
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Update version to 0.1.3 to generate new PyPI package with updated aii… ci-release #14: Commit 435fffd pushed by BTSpeake
52s v0.1.3
v0.1.3
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Update version to 0.1.3 to generate new PyPI package with updated aii… ci-release #13: Commit 435fffd pushed by BTSpeake
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