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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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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
debug numgrid
2020-03-25 12:56:28 +01:00
1 2 2 0 0
inital commit for quack
2019-02-07 22:49:12 +01:00
# Znuc x y z
debug numgrid
2020-03-25 12:56:28 +01:00
Be 0.0 0.0 0.0
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