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58a455cd78
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Fix Sigma initial states
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2020-05-27 10:00:13 +02:00 |
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9b57d18319
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Fix initial state
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2020-05-22 15:27:35 +02:00 |
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caf0ef124f
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Fix first symmetry alignment
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2020-03-27 14:35:01 +01:00 |
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fcf71efa1e
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Regenerate QUEST#1
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2020-03-10 18:31:13 +01:00 |
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feea071247
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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a2f04156a3
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Add code for new CC3 files
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2020-01-29 17:20:34 +01:00 |
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f051f48b42
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Add geometry for new files
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2020-01-29 17:20:34 +01:00 |
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b29ce581d2
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Add DOI to new datas
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2020-01-29 17:20:34 +01:00 |
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9b9fa79d88
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Add Carbon monoxide CC3 supporting
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2020-01-29 17:20:34 +01:00 |
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