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quack/input/molecule.xyz

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numgrid
2020-03-21 16:31:39 +01:00
2
examples
2020-01-17 17:35:40 +01:00
BSE in ppRPA
2020-03-21 21:09:48 +01:00
F 0.0000000000 0.0000000000 0.0000000000
F 0.0000000000 0.0000000000 1.0583544980
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