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LCPQ
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quack
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molecule.H2
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basis correction
2019-07-09 16:17:10 +02:00
# nAt nEla nElb nCore nRyd
correct bug in evGW
2020-04-15 09:34:41 +02:00
2 1 1 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
S^2 for ground state OK
2020-10-03 22:16:38 +02:00
H 0. 0. 0.0
H 0. 0. 1.4
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