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small bug in md calling _get_temperature Build docs #390: Commit ba5b9b5 pushed by bernstei
3m 23s main
main
3m 23s
small bug in md calling _get_temperature publish to pypi #246: Commit ba5b9b5 pushed by bernstei
17s main
main
17s
Flush stdout after printing mace fitting command publish to pypi #245: Commit ffff09e pushed by bernstei
19s main
main
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Flush stdout after printing mace fitting command Build docs #389: Commit ffff09e pushed by bernstei
3m 8s main
main
3m 8s
Update expected number of pass/fail/etc in complete_pytest.tin publish to pypi #244: Commit 353a22d pushed by bernstei
34s v0.3.5
v0.3.5
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Merge pull request #363 from libAtoms/autopara_GPU Build docs #388: Commit 189111a pushed by bernstei
4m 39s main
main
4m 39s
Merge pull request #363 from libAtoms/autopara_GPU publish to pypi #243: Commit 189111a pushed by bernstei
20s main
main
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make wfl pool autoparallelization torch GPU ID aware Build docs #387: Pull request #363 synchronize by bernstei
3m 25s autopara_GPU
autopara_GPU
3m 25s
make wfl pool autoparallelization torch GPU ID aware Python Package and tests #943: Pull request #363 synchronize by bernstei
51m 40s autopara_GPU
autopara_GPU
51m 40s
Update expected number of pass/fail/etc in complete_pytest.tin publish to pypi #242: Commit 353a22d pushed by bernstei
15s autopara_GPU
autopara_GPU
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make wfl pool autoparallelization torch GPU ID aware Build docs #386: Pull request #363 synchronize by bernstei
3m 43s autopara_GPU
autopara_GPU
3m 43s
make wfl pool autoparallelization torch GPU ID aware Python Package and tests #942: Pull request #363 synchronize by bernstei
48m 4s autopara_GPU
autopara_GPU
48m 4s
Cleaner use of 'converged = opt.run()' in optimize and neb publish to pypi #241: Commit b69e76f pushed by bernstei
19s autopara_GPU
autopara_GPU
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make wfl pool autoparallelization torch GPU ID aware Build docs #385: Pull request #363 synchronize by bernstei
5m 1s autopara_GPU
autopara_GPU
5m 1s
make wfl pool autoparallelization torch GPU ID aware Python Package and tests #941: Pull request #363 synchronize by bernstei
49m 53s autopara_GPU
autopara_GPU
49m 53s
fix LangevinBAOAB import in test_md.py publish to pypi #240: Commit 4de5eab pushed by bernstei
19s autopara_GPU
autopara_GPU
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make wfl pool autoparallelization torch GPU ID aware Python Package and tests #940: Pull request #363 synchronize by bernstei
49m 45s autopara_GPU
autopara_GPU
49m 45s
make wfl pool autoparallelization torch GPU ID aware Build docs #384: Pull request #363 synchronize by bernstei
5m 12s autopara_GPU
autopara_GPU
5m 12s
test for wfl.calculator.utils.clean_rundir publish to pypi #239: Commit f0d55e9 pushed by bernstei
16s autopara_GPU
autopara_GPU
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make wfl pool autoparallelization torch GPU ID aware Build docs #383: Pull request #363 synchronize by bernstei
5m 57s autopara_GPU
autopara_GPU
5m 57s
make wfl pool autoparallelization torch GPU ID aware Python Package and tests #939: Pull request #363 synchronize by bernstei
47m 47s autopara_GPU
autopara_GPU
47m 47s
Back to opt.converged(None) for wfl.generate.optimize, since PreconLB… publish to pypi #238: Commit 37499b2 pushed by bernstei
17s autopara_GPU
autopara_GPU
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lint publish to pypi #237: Commit 8946a61 pushed by bernstei
21s autopara_GPU
autopara_GPU
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make wfl pool autoparallelization torch GPU ID aware Build docs #382: Pull request #363 synchronize by bernstei
4m 37s autopara_GPU
autopara_GPU
4m 37s
make wfl pool autoparallelization torch GPU ID aware Python Package and tests #938: Pull request #363 synchronize by bernstei
47m 44s autopara_GPU
autopara_GPU
47m 44s