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LCPQ
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quack
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https://github.com/pfloos/quack
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875b53b7d0
quack
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input
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molecule.xyz
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evUGW
2020-09-24 22:50:56 +02:00
2
examples
2020-01-17 17:35:40 +01:00
evUGW
2020-09-24 22:50:56 +02:00
C 0.0000000000 0.0000000000 -0.0859694585
H 0.0000000000 0.0000000000 1.0236236215
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