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Merge remote publish to pypi #255: Commit ee41622 pushed by gelzinyte
26s elena/update-to-numpy-2
elena/update-to-numpy-2
26s
DummyMPI is a constructor, not an object publish to pypi #254: Commit 086a446 pushed by bernstei
21s elena/update-to-numpy-2
elena/update-to-numpy-2
21s
Replace comm=None with comm=DummpyMPI publish to pypi #253: Commit 7a875bf pushed by bernstei
17s elena/update-to-numpy-2
elena/update-to-numpy-2
17s
Replace communictor with comm in md MaxwellBoltzmannDistribution, dep… publish to pypi #252: Commit 2fd4f4e pushed by bernstei
19s elena/update-to-numpy-2
elena/update-to-numpy-2
19s
Remove stray pip constraint references publish to pypi #251: Commit 1a20c07 pushed by gelzinyte
20s elena/update-to-numpy-2
elena/update-to-numpy-2
20s
multi-line ipynb strings for easy comparison publish to pypi #250: Commit 6837f8d pushed by gelzinyte
15s elena/update-to-numpy-2
elena/update-to-numpy-2
15s
Merge branch 'elena/update-to-numpy-2' of github.com:libAtoms/workflo… publish to pypi #249: Commit abb85e9 pushed by gelzinyte
15s elena/update-to-numpy-2
elena/update-to-numpy-2
15s
Updates for compatibility with numpy v2 publish to pypi #248: Commit abb2e66 pushed by gelzinyte
24s elena/update-to-numpy-2
elena/update-to-numpy-2
24s
Merge pull request #365 from jungsdao/main publish to pypi #247: Commit 0ef2858 pushed by bernstei
22s main
main
22s
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
19s
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
34s
Merge pull request #363 from libAtoms/autopara_GPU publish to pypi #243: Commit 189111a pushed by bernstei
20s main
main
20s
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
15s
Cleaner use of 'converged = opt.run()' in optimize and neb publish to pypi #241: Commit b69e76f pushed by bernstei
19s autopara_GPU
autopara_GPU
19s
fix LangevinBAOAB import in test_md.py publish to pypi #240: Commit 4de5eab pushed by bernstei
19s autopara_GPU
autopara_GPU
19s
test for wfl.calculator.utils.clean_rundir publish to pypi #239: Commit f0d55e9 pushed by bernstei
16s autopara_GPU
autopara_GPU
16s
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
17s
lint publish to pypi #237: Commit 8946a61 pushed by bernstei
21s autopara_GPU
autopara_GPU
21s
Fix autopara GPU test publish to pypi #236: Commit 1a2f51b pushed by bernstei
17s autopara_GPU
autopara_GPU
17s
Fix convergence check in optimizers, and skip phono3py tests if not a… publish to pypi #235: Commit 0c8222e pushed by bernstei
21s autopara_GPU
autopara_GPU
21s
Don't use forkserver for autopara pool unless WFL_TORCH_N_GPUS is set publish to pypi #234: Commit c545aac pushed by bernstei
25s autopara_GPU
autopara_GPU
25s
typo publish to pypi #233: Commit 409456e pushed by bernstei
16s autopara_GPU
autopara_GPU
16s
Refactor clean_rundir and related publish to pypi #232: Commit ab9e460 pushed by bernstei
13s autopara_GPU
autopara_GPU
13s
Switch all tests to ase LangevinBOAB, and fix missing gpu_id_queue wh… publish to pypi #231: Commit fa89458 pushed by bernstei
34s autopara_GPU
autopara_GPU
34s