2021-10-15 19:30:00 +02:00
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#! /bin/bash
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2021-10-15 21:01:56 +02:00
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cp input/molecule.Hu input/molecule
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cp input/basis.Hu input/basis
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2023-11-28 14:44:26 +01:00
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cp int/nBas.Hu.dat int/nBas.dat
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2021-10-15 21:01:56 +02:00
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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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2021-10-15 22:32:22 +02:00
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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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2021-10-15 19:30:00 +02:00
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./bin/QuAcK
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