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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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847160ad09
QuAcK
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molecule
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singlet and triplet G0T0
2019-10-20 08:18:58 +02:00
# nAt nEla nElb nCore nRyd
looking for a bug
2020-01-14 22:56:20 +01:00
2 7 7 0 0
inital commit for quack
2019-02-07 22:49:12 +01:00
# Znuc x y z
looking for a bug
2020-01-14 22:56:20 +01:00
N 0. 0. 0.
clean up
2020-01-17 13:45:02 +01:00
N 0. 0. 3.4
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