Actions: mbercx/aiida-quantumespresso
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253 workflow runs
test_matdyn.py: strip pbc{1,2,3} in default to fix nightly
ci
#775:
Commit 7671363
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mbercx
PwRelaxWorkChain: tolerate Pulay failure in initial relax
ci
#769:
Commit 75d1ea7
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mbercx
PwBaseWorkChain: only build magnetization for spin cases
ci
#768:
Commit 4af8c34
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mbercx
PwBaseWorkChain: only build magnetization for spin-polarised protβ¦
ci
#767:
Commit 7f76635
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mbercx
pbc to TrajectoryData.set_trajectory
ci
#765:
Commit 82b5e76
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mbercx
pbc to TrajectoryData.set_trajectory
ci
#764:
Commit 126d2a7
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mbercx
pbc to TrajectoryData.set_trajectory
ci
#763:
Commit 0f1e1eb
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mbercx
PwRelaxWorkChain: check if final SCF pressure is within tolerance
ci
#761:
Commit bbd2b85
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mbercx
PwRelaxWorkChain: skip restart when final SCF pressure is within β¦
ci
#760:
Commit b5bf576
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mbercx
CHANGELOG.md: copy support branch notes
ci
#756:
Commit 44a44e2
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mbercx
pw namespace
ci
#755:
Commit f48e269
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mbercx