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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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input
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molecule.xyz
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occnum
2020-09-11 11:55:04 +02:00
1
examples
2020-01-17 17:35:40 +01:00
update UGW
2020-09-21 16:54:38 +02:00
Li 0.0000000000 0.0000000000 0.0000000000
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