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quack/examples/molecule.Ne

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UHF is working
2019-03-19 11:21:34 +01:00
# nAt nEla nElb nCore nRyd
1 5 5 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
Ne 0.0 0.0 0.0
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