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ef2a4bfa2f
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Fix ao_prim_num_max
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2023-01-31 16:20:50 +01:00 |
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0e6ebdc5a2
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Better handling of normf=1
continuous-integration/drone/push Build is failing
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2022-06-29 15:43:35 +02:00 |
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b1c91c205b
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Better handling of normf=1
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2022-06-29 15:38:03 +02:00 |
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f629fc993e
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Fix normf=1 problem with gamess conversion
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2022-06-29 15:25:19 +02:00 |
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687fa9472a
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Update drone config
continuous-integration/drone/push Build was killed
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2022-05-12 12:04:32 +02:00 |
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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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