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quack/input/molecule.xyz

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sort ppRPA
2020-03-25 21:10:21 +01:00
1
examples
2020-01-17 17:35:40 +01:00
core in CC
2020-03-26 16:57:46 +01:00
Ne 0.0000000000 0.0000000000 0.0000000000
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