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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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QuAcK
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examples
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molecule.He
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removing examples
2019-03-19 10:18:03 +01:00
# nAt nEl nEla nElb nCore nRyd
removing examples
2019-03-19 10:19:18 +01:00
1 2 1 1 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
He 0.0 0.0 0.0
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