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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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cd4f187c9b
QuAcK
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molecule.Be
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UHF is working
2019-03-19 11:21:34 +01:00
# nAt nEla nElb nCore nRyd
S^2 for ground state OK
2020-10-03 22:16:38 +02:00
1 3 1 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
IntPak read geom fixed
2019-03-31 22:28:04 +02:00
Be 0.0 0.0 0.0
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