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22 lines
656 B
Plaintext
22 lines
656 B
Plaintext
---
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syntax: markdown
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tags: [tldr, linux]
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source: https://github.com/tldr-pages/tldr.git
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---
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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.
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> More information: <https://github.com/openmopac/mopac>.
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- 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
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#comment
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H 0.95506 0.05781 -0.03133
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F 1.89426 0.05781 -0.03133" > test.mop; mopac test.mop & tail {{[-f|--follow]}} test.out`
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