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theorychemyang / pyscf Public

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NEO: A (nearly full) reimplementation of neo moledule #180

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NEO: A (nearly full) reimplementation of neo moledule

NEO: A (nearly full) reimplementation of neo moledule #180

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- Usage
- Workflow file

Usage Workflow file

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1 error

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Process completed with exit code 1.

ruff

failed Feb 18, 2025 in 7s

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