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LCPQ
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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.CO
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clean up
2020-01-17 13:45:02 +01:00
# nAt nEla nElb nCore nRyd
nS
2020-01-22 09:20:18 +01:00
2 7 7 4 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
nS
2020-01-22 09:20:18 +01:00
C 0. 0. 0.
O 0. 0. 3.4
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