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9c49be2f59
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Added mo_symmetry in qp_convert
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2024-02-23 13:16:55 +01:00 |
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6a1c10f4fb
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Fix missing mo_label in qp_convert
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2023-11-16 19:21:18 +01:00 |
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efc7ac77d7
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Merge branch 'master' into dev
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2021-12-20 19:07:31 +01:00 |
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8c39fffd4c
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Upgrade to resultsFile v2.3
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2021-12-20 19:05:13 +01:00 |
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13eee57e67
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Update for TREXIOv2
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2021-12-07 19:30:32 +01:00 |
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23e8789df6
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Update occ_num in qp_convert_output_to_ezfio
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2021-10-12 15:55:44 +02:00 |
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b3c2f3c204
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Basis in qp_convert_output_to_ezfio
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2021-06-25 00:11:57 +02:00 |
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c614cb3922
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Fixed conversion
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2020-05-15 15:12:39 +02:00 |
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c22daadf40
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Moving to Python3.
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2020-01-27 22:30:01 +01:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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