chem-dft-orca-optimization
learningmatter-mit
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
ChemistryClaude Code
161GitHub
OPENAGENTSKILL / DIRECTORY
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learningmatter-mit
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
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