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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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76aa00962d
QuAcK
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input
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molecule.xyz
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examples
2020-01-17 17:35:40 +01:00
2
N 0.0000000000 0.0000000000 0.0000000000
nS
2020-01-22 09:20:18 +01:00
N 0.0000000000 0.0000000000 1.7992026466
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