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LCPQ
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quack
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quack
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molecule.N2
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huckel guess
2019-09-20 22:28:01 +02:00
# nAt nEla nElb nCore nRyd
scan diatomics
2019-09-23 18:36:55 +02:00
2 7 7 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
scan diatomics
2019-09-23 18:36:55 +02:00
N 0. 0. 0.
fix bug in evGW for BSE Ec
2019-10-01 14:53:36 +02:00
N 0. 0. 3.4
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