LCPQ/quack
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quack/input/molecule.xyz

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dipole and f OK
2020-09-28 23:19:26 +02:00
2
examples
2020-01-17 17:35:40 +01:00
dipole and f OK
2020-09-28 23:19:26 +02:00
C 0.0000000000 0.0000000000 -0.0859694585
H 0.0000000000 0.0000000000 1.0236236215
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