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# mopac | ||
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> MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry program based on Dewar and Thiel's NDDO approximation. | ||
> More information: <https://github.com/openmopac/mopac>. | ||
- Perform calculations according to an input file (`.mop`, `.dat`, and `.arc`): | ||
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`mopac {{path/to/input_file}}` | ||
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- Minimal working example with HF that writes to the current directory and streams the output file: | ||
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`touch test.out; echo "PM7\n#comment\n\nH 0.95506 0.05781 -0.03133\nF 1.89426 0.05781 -0.03133" > test.mop; mopac test.mop & tail -f test.out` |