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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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4c821fe4ac
QuAcK
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molecule
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cleanup
2019-03-19 10:13:18 +01:00
# nAt nEl nEla nElb nCore nRyd
1 2 0 0 0 0
inital commit for quack
2019-02-07 22:49:12 +01:00
# Znuc x y z
clean up
2019-03-19 09:49:38 +01:00
He 0.0 0.0 0.0
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