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Enable parsing of "SCF energy" and "Total energy" from QCOutput for Q-chem 6.1.1+
Tests #7762: Pull request #4087 synchronize by Jaebeom-P
September 30, 2024 17:40 Action required Jaebeom-P:qchem_patch
September 30, 2024 17:40 Action required
Enable parsing of "SCF energy" and "Total energy" from QCOutput for Q-chem 6.1.1+
Tests #7761: Pull request #4087 opened by Jaebeom-P
September 30, 2024 17:39 Action required Jaebeom-P:qchem_patch
September 30, 2024 17:39 Action required
Fix dict equality check with numpy array
Tests #7760: Pull request #4086 synchronize by DanielYang59
September 30, 2024 09:39 12m 50s DanielYang59:fix-4085-dict-compar
September 30, 2024 09:39 12m 50s
Fix dict equality check with numpy array
Tests #7759: Pull request #4086 synchronize by DanielYang59
September 30, 2024 09:33 15m 3s DanielYang59:fix-4085-dict-compar
September 30, 2024 09:33 15m 3s
Fix dict equality check with numpy array
Tests #7758: Pull request #4086 synchronize by DanielYang59
September 30, 2024 09:30 12m 7s DanielYang59:fix-4085-dict-compar
September 30, 2024 09:30 12m 7s
Fix dict equality check with numpy array
Tests #7757: Pull request #4086 synchronize by DanielYang59
September 30, 2024 09:24 13m 12s DanielYang59:fix-4085-dict-compar
September 30, 2024 09:24 13m 12s
Fix dict equality check with numpy array
Tests #7756: Pull request #4086 synchronize by DanielYang59
September 30, 2024 09:20 12m 10s DanielYang59:fix-4085-dict-compar
September 30, 2024 09:20 12m 10s
Fix dict equality check with numpy array
Tests #7755: Pull request #4086 synchronize by DanielYang59
September 30, 2024 08:30 11m 8s DanielYang59:fix-4085-dict-compar
September 30, 2024 08:30 11m 8s
[WIP] Add support to LOBSTER >=5.0
Tests #7753: Pull request #4065 synchronize by naik-aakash
September 30, 2024 07:53 12m 18s naik-aakash:lobster_parsers_update
September 30, 2024 07:53 12m 18s
[WIP] Add support to LOBSTER >=5.0
Tests #7751: Pull request #4065 synchronize by naik-aakash
September 30, 2024 07:25 12m 0s naik-aakash:lobster_parsers_update
September 30, 2024 07:25 12m 0s
[WIP] Add support to LOBSTER >=5.0
Tests #7750: Pull request #4065 synchronize by naik-aakash
September 30, 2024 05:09 11m 51s naik-aakash:lobster_parsers_update
September 30, 2024 05:09 11m 51s
[WIP] Add support to LOBSTER >=5.0
Tests #7749: Pull request #4065 synchronize by naik-aakash
September 30, 2024 05:05 11m 49s naik-aakash:lobster_parsers_update
September 30, 2024 05:05 11m 49s
Fix usage of strict=True for zip in cp2k.outputs
Tests #7748: Pull request #4084 synchronize by DanielYang59
September 30, 2024 02:46 13m 22s DanielYang59:fix-cp2k-zip-strict
September 30, 2024 02:46 13m 22s
Fix usage of strict=True for zip in cp2k.outputs
Tests #7747: Pull request #4084 synchronize by DanielYang59
September 30, 2024 02:42 12m 19s DanielYang59:fix-cp2k-zip-strict
September 30, 2024 02:42 12m 19s
Fix usage of strict=True for zip in cp2k.outputs
Tests #7746: Pull request #4084 synchronize by DanielYang59
September 30, 2024 02:38 11m 39s DanielYang59:fix-cp2k-zip-strict
September 30, 2024 02:38 11m 39s
[WIP] Add support to LOBSTER >=5.0
Tests #7745: Pull request #4065 synchronize by naik-aakash
September 29, 2024 17:27 10m 30s naik-aakash:lobster_parsers_update
September 29, 2024 17:27 10m 30s
Fix usage of strict=True for zip in cp2k.outputs
Tests #7744: Pull request #4084 synchronize by DanielYang59
September 29, 2024 11:29 11m 41s DanielYang59:fix-cp2k-zip-strict
September 29, 2024 11:29 11m 41s
Test monty fix for reverse readline
Tests #7743: Pull request #4068 synchronize by DanielYang59
September 29, 2024 09:10 19m 26s DanielYang59:test-monty-reverse-read
September 29, 2024 09:10 19m 26s
Fix usage of strict=True for zip in cp2k.outputs
Tests #7741: Pull request #4084 synchronize by DanielYang59
September 29, 2024 09:06 11m 34s DanielYang59:fix-cp2k-zip-strict
September 29, 2024 09:06 11m 34s
JDFTx IO module
Tests #7740: Pull request #4078 synchronize by benrich37
September 29, 2024 04:34 Action required benrich37:master
September 29, 2024 04:34 Action required
Fix usage of strict=True for zip in cp2k.outputs
Tests #7739: Pull request #4084 synchronize by DanielYang59
September 29, 2024 03:53 14m 24s DanielYang59:fix-cp2k-zip-strict
September 29, 2024 03:53 14m 24s