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LCPQ
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quack
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https://github.com/pfloos/quack
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52fe50f992
quack
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examples
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molecule.LiF
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Unescape
Escape
fix bug in printing qsGW energy after BSE
2019-09-23 13:31:01 +02:00
# nAt nEla nElb nCore nRyd
scan diatomics
2019-09-23 18:36:55 +02:00
2 6 6 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.
moar clean up
2020-03-13 09:18:18 +01:00
F 0. 0. 2.974
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