extra inputs and output for psi4 #641
loriabAnnotations
14 warnings
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🐍 3.8 • ANI • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.7 • QCore • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • OpenMM • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.10 • xTB • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • NWChem70 • ubuntu-20.04
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • ADCC • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • optimization-dispersion • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.10 • Psi4-1.6 • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • MRChem • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.7 • Psi4-1.5 • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.12 • NWChem • ubuntu-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.12 • Psi4-1.8 • windows-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.11 • optimization-dispersion • windows-latest
Mamba support is still experimental and can result in differently solved environments!
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🐍 3.8 • Sphinx
Mamba support is still experimental and can result in differently solved environments!
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