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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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molecule.F2
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examples
2020-01-17 17:35:40 +01:00
# nAt nEla nElb nCore nRyd
2 9 9 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
examples
2020-01-17 17:35:40 +01:00
F 0. 0. 0.
FC in pCCD
2020-03-22 22:22:47 +01:00
F 0. 0. 3.3
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