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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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QuAcK
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molecule.xyz
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examples
2020-01-17 17:35:40 +01:00
2
ppRPA orlando orthogonalization
2020-03-07 08:58:50 +01:00
Li 0.0000000000 0.0000000000 0.0000000000
H 0.0000000000 0.0000000000 1.5950001314
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