LCPQ/quack
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quack/input/molecule.xyz

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CCD variants
2020-03-21 22:50:43 +01:00
1
examples
2020-01-17 17:35:40 +01:00
debug pCCD
2020-03-22 15:20:42 +01:00
Ne 0.0000000000 0.0000000000 0.0000000000
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