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LCPQ
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quack
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https://github.com/pfloos/quack
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a2c2eb32b5
quack
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examples
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molecule.BN
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Unescape
Escape
clean up
2020-01-17 13:45:02 +01:00
# nAt nEla nElb nCore nRyd
2 6 6 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
clean up
2020-01-17 13:45:02 +01:00
B 0. 0. 0.
N 0. 0. 2.420738991
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