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LCPQ
/
quack
mirror of
https://github.com/pfloos/quack
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86964672d7
quack
/
input
/
molecule
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# nAt nEl nCore nRyd
2 2 0 0
# Znuc x y z
1. 0. 0. 0.4
1. 0. 0. -0.4
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