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quack/mol/h2.xyz

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xyz files
2020-10-12 14:30:00 +02:00
2
CC-B88 kappa in DD and many other things
2022-02-07 10:40:50 +01:00
fix print in CCSD
2021-11-06 14:36:54 +01:00
H 0. 0. 0.
correct a few bugs in ppBSE
2022-08-17 16:53:59 +02:00
H 0. 0. 0.7
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