LCPQ/quack
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quack/input/molecule.xyz

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examples
2020-01-17 17:35:40 +01:00
2
eta in linear response
2020-01-23 21:22:41 +01:00
F 0.0000000000 0.0000000000 0.0000000000
F 0.0000000000 0.0000000000 1.5875317470
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