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LCPQ
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quack
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https://github.com/pfloos/quack
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quack
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examples
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molecule.F2
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removing examples
2019-03-19 10:18:03 +01:00
# nAt nEl nCore nRyd
T matrix *might* be working
2019-10-17 22:07:41 +02:00
2 9 9 0 0
removing examples
2019-03-19 10:18:03 +01:00
# Znuc x y z
T matrix *might* be working
2019-10-17 22:07:41 +02:00
F 0. 0. 0.000
F 0. 0. 2.668
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