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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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96e3dfe5e0
QuAcK
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mol
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h2.xyz
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xyz files
2020-10-12 14:30:00 +02:00
2
H 0.0 0.0 0.0
guess mix in eDFT
2021-01-31 23:24:25 +01:00
H 0.0 0.0 2.645875
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