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LCPQ
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quack
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https://github.com/pfloos/quack
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7562686ea3
quack
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examples
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molecule.HeH+
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clean up
2020-01-17 13:45:02 +01:00
# nAt nEla nElb nCore nRyd
2 1 1 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
fix bug in BSE triplet
2020-06-09 21:24:37 +02:00
He 0. 0. 0.0
H 0. 0. 1.4632
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