LCPQ/quack
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quack/input/molecule.xyz

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spin in W
2020-06-14 13:04:16 +02:00
2
examples
2020-01-17 17:35:40 +01:00
spin in W
2020-06-14 13:04:16 +02:00
N 0.0000000000 0.0000000000 -0.5503900175
N 0.0000000000 0.0000000000 0.5503900175
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