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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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input
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molecule
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AOtoMO OOOOOO
2019-03-13 15:02:16 +01:00
# nAt nEl nCore nRyd
MP3 is working
2019-03-17 10:27:06 +01:00
1 4 0 0
inital commit for quack
2019-02-07 22:49:12 +01:00
# Znuc x y z
MP3 is working
2019-03-17 10:27:06 +01:00
Be 0.0 0.0 0.0
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