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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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b8bf488a9a
QuAcK
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examples
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molecule.LiH
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qsGW fix bug
2019-09-21 08:53:29 +02:00
# nAt nEla nElb nCore nRyd
scan diatomics
2019-09-23 18:36:55 +02:00
2 2 2 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
Li 0. 0. 0.
spinorbital G0T0 OK
2020-03-24 14:55:22 +01:00
H 0. 0. 3.099
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