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Commit Graph

12 Commits

Author SHA1 Message Date
0e6ebdc5a2 Better handling of normf=1
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continuous-integration/drone/push Build is failing
2022-06-29 15:43:35 +02:00
b1c91c205b Better handling of normf=1 2022-06-29 15:38:03 +02:00
f629fc993e Fix normf=1 problem with gamess conversion 2022-06-29 15:25:19 +02:00
687fa9472a Update drone config
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continuous-integration/drone/push Build was killed
2022-05-12 12:04:32 +02:00
efc7ac77d7 Merge branch 'master' into dev 2021-12-20 19:07:31 +01:00
8c39fffd4c Upgrade to resultsFile v2.3 2021-12-20 19:05:13 +01:00
13eee57e67 Update for TREXIOv2 2021-12-07 19:30:32 +01:00
23e8789df6 Update occ_num in qp_convert_output_to_ezfio 2021-10-12 15:55:44 +02:00
b3c2f3c204 Basis in qp_convert_output_to_ezfio 2021-06-25 00:11:57 +02:00
c614cb3922 Fixed conversion 2020-05-15 15:12:39 +02:00
c22daadf40 Moving to Python3. 2020-01-27 22:30:01 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00