LCPQ/quack
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quack/mol/H2.xyz

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additional geometries
2024-01-18 22:31:16 +01:00
2
implement 1RDM and 2RDM for pCCD
2024-08-16 19:05:11 +02:00
H 0.00000000 -0.37500000 0.00000000
H 0.00000000 0.37500000 0.00000000
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