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pull altered qcel and run pre-commit #781

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pull altered qcel and run pre-commit

pull altered qcel and run pre-commit #781

Run time

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Job Run time
🐍 3.10 • Psi4-1.6 • ubuntu-latest
6m 15s
🐍 3.12 • Psi4-1.8 • windows-latest
12m 7s
🐍 3.8 • ANI • ubuntu-latest
2m 14s
🐍 3.8 • OpenMM • ubuntu-latest
2m 44s
🐍 3.10 • xTB • ubuntu-latest
1m 31s
🐍 3.8 • NWChem70 • ubuntu-20.04
1m 11s
🐍 3.12 • NWChem • ubuntu-latest
8m 58s
🐍 3.8 • MRChem • ubuntu-latest
10m 34s
🐍 3.8 • ADCC • ubuntu-latest
6m 23s
🐍 3.8 • optimization-dispersion • ubuntu-latest
7m 52s
🐍 3.11 • optimization-dispersion • windows-latest
12m 56s
🐍 3.10 • MACE • ubuntu-latest
2m 7s
🐍 3.11 • AIMNET2 • ubuntu-latest
2m 3s
🐍 ${{ matrix.cfg.python-version }} • ${{ matrix.cfg.label }}
0s
1h 16m 55s