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quack/examples/molecule.BF

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examples
2020-01-17 17:35:40 +01:00
# nAt nEla nElb nCore nRyd
2 7 7 0 0
# Znuc x y z
B 0. 0. 0.
moar clean up
2020-03-13 09:18:18 +01:00
F 0. 0. 2.385
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