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LCPQ
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quack
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quack
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mol
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h2.xyz
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xyz files
2020-10-12 14:30:00 +02:00
2
fix print in CCSD
2021-11-06 14:36:54 +01:00
H 0. 0. 0.
HF individual energy working
2021-11-08 09:55:39 +01:00
H 0. -0.740848 0.740848
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