PTEROSOR/QuAcK
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QuAcK/input/molecule.xyz

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spinorbital G0T0 OK
2020-03-24 14:55:22 +01:00
2
examples
2020-01-17 17:35:40 +01:00
spinorbital G0T0 OK
2020-03-24 14:55:22 +01:00
Li 0.0000000000 0.0000000000 0.0000000000
H 0.0000000000 0.0000000000 1.6399202947
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