mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
14 lines
353 B
Bash
Executable File
14 lines
353 B
Bash
Executable File
#! /bin/bash
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cp input/molecule.Hu input/molecule
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cp input/basis.Hu input/basis
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cp int/nBas.Hu.dat int/nBas.dat
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cp int/ERI.Hu.dat int/ERI.dat
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cp int/Kin.Hu.dat int/Kin.dat
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cp int/Nuc.Hu.dat int/Nuc.dat
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cp int/Ov.Hu.dat int/Ov.dat
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cp int/x.Hu.dat int/x.dat
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cp int/y.Hu.dat int/y.dat
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cp int/z.Hu.dat int/z.dat
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./bin/QuAcK
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