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https://github.com/pfloos/quack
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7 lines
131 B
Bash
Executable File
7 lines
131 B
Bash
Executable File
#! /bin/bash
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cp ./methods.test ../input/methods
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cp ./options.test ../input/options
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cd ..
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python3 PyDuck.py -x water -b 6-31g -m 1
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