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PTEROSOR
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QuAcK
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https://github.com/pfloos/quack
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941ab79dc1
QuAcK
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input
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molecule.xyz
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numgrid
2020-03-21 16:31:39 +01:00
2
examples
2020-01-17 17:35:40 +01:00
numgrid
2020-03-21 16:31:39 +01:00
Li 0.0000000000 0.0000000000 0.0000000000
F 0.0000000000 0.0000000000 1.5690105433
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