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Csse pyd2 modernize compute function #832

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Csse pyd2 modernize compute function

Csse pyd2 modernize compute function #832

Run time

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Job Run time
🐍 3.10 • Psi4-1.6 • ubuntu-latest
21m 57s
🐍 3.12 • Psi4-1.8 • windows-latest
40m 20s
🐍 3.8 • ANI • ubuntu-latest
2m 12s
🐍 3.8 • OpenMM • ubuntu-latest
3m 52s
🐍 3.10 • xTB • ubuntu-latest
1m 48s
🐍 3.8 • NWChem70 • ubuntu-20.04
19m 24s
🐍 3.12 • NWChem • ubuntu-latest
39m 24s
🐍 3.8 • MRChem • ubuntu-latest
48m 13s
🐍 3.8 • ADCC • ubuntu-latest
26m 1s
🐍 3.8 • optimization-dispersion • ubuntu-latest
29m 52s
🐍 3.11 • optimization-dispersion • windows-latest
42m 6s
🐍 3.10 • MACE • ubuntu-latest
2m 6s
🐍 3.11 • AIMNET2 • ubuntu-latest
2m 19s
🐍 3.10 • Sphinx
44s
4h 40m 18s