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Generate foundational base section, i.e. ModelBaseSection Testing with coveralls Report #216: Commit f62eb98 pushed by ndaelman-hu
January 24, 2025 18:47 58s remove_phys_prop
remove_phys_prop
January 24, 2025 18:47 58s
- Remove ELNAnnotation imports Testing with coveralls Report #215: Commit ea40f74 pushed by ndaelman-hu
January 24, 2025 15:31 1m 16s clean_schema
clean_schema
January 24, 2025 15:31 1m 16s
Remove annotations Testing with coveralls Report #214: Commit f885f1e pushed by ndaelman-hu
January 24, 2025 14:42 1m 0s clean_schema
clean_schema
January 24, 2025 14:42 1m 0s
Apply ruff Testing with coveralls Report #213: Commit 0e773dd pushed by ndaelman-hu
January 24, 2025 13:21 1m 1s clean_schema
clean_schema
January 24, 2025 13:21 1m 1s
- Deactivate EditQuantity annotations Testing with coveralls Report #212: Commit 55cc292 pushed by ndaelman-hu
January 24, 2025 13:16 1m 4s clean_schema
clean_schema
January 24, 2025 13:16 1m 4s
add a placeholder MolecularOrbitalsState Testing with coveralls Report #211: Commit 6f3e30b pushed by EBB2675
January 15, 2025 12:54 1m 11s qc-model-method-contributions
qc-model-method-contributions
January 15, 2025 12:54 1m 11s
- Add PhysicalPropertyDecomposition to standardize contributions Testing with coveralls Report #210: Commit 17cf3bb pushed by ndaelman-hu
January 14, 2025 20:33 1m 11s test_new_physical_props
test_new_physical_props
January 14, 2025 20:33 1m 11s
enhance LocalCorrelation and CoupledCluster Testing with coveralls Report #209: Commit 95e319c pushed by EBB2675
January 14, 2025 10:24 1m 16s qc-model-method-contributions
qc-model-method-contributions
January 14, 2025 10:24 1m 16s
fix ROKS issue, minor modifications in model_method Testing with coveralls Report #208: Commit d90eac1 pushed by EBB2675
January 13, 2025 08:27 1m 4s qc-model-method-contributions
qc-model-method-contributions
January 13, 2025 08:27 1m 4s
errors to warnings Testing with coveralls Report #207: Commit b4df654 pushed by JFRudzinski
January 9, 2025 09:36 1m 2s cg-particle-support-JFR
cg-particle-support-JFR
January 9, 2025 09:36 1m 2s
more angle progress Testing with coveralls Report #206: Commit 95352d3 pushed by JFRudzinski
January 9, 2025 08:55 1m 16s 113-add-force-field-schema
113-add-force-field-schema
January 9, 2025 08:55 1m 16s
modify reference determinants in HF base class Testing with coveralls Report #205: Commit 271f69c pushed by EBB2675
January 2, 2025 09:53 1m 0s qc-model-method-contributions
qc-model-method-contributions
January 2, 2025 09:53 1m 0s
add MEnum for GTOIntegralDecomposition Testing with coveralls Report #204: Commit 09b0dfc pushed by EBB2675
January 2, 2025 08:28 1m 0s qc-model-method-contributions
qc-model-method-contributions
January 2, 2025 08:28 1m 0s
- Move out electronic physical properties Testing with coveralls Report #203: Commit 430bfb8 pushed by ndaelman-hu
December 18, 2024 18:21 1m 1s test_new_physical_props
test_new_physical_props
December 18, 2024 18:21 1m 1s
Extend to band structures Testing with coveralls Report #202: Commit ba97b08 pushed by ndaelman-hu
December 18, 2024 12:40 57s test_new_physical_props
test_new_physical_props
December 18, 2024 12:40 57s
Introduce Templates from Markus Testing with coveralls Report #201: Commit 6f8a7ea pushed by ndaelman-hu
December 17, 2024 22:51 53s test_new_physical_props
test_new_physical_props
December 17, 2024 22:51 53s
a placeholder for MO and LCAO Testing with coveralls Report #200: Commit 816c7ba pushed by EBB2675
December 16, 2024 15:32 1m 3s qc-model-method-contributions
qc-model-method-contributions
December 16, 2024 15:32 1m 3s
Apply explanation Markus Testing with coveralls Report #199: Commit b98615c pushed by ndaelman-hu
December 11, 2024 15:52 56s test_new_physical_props
test_new_physical_props
December 11, 2024 15:52 56s
a placeholder for MO and LCAO Testing with coveralls Report #198: Commit 816c7ba pushed by EBB2675
December 11, 2024 14:20 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 11, 2024 14:20 1m 7s
Update physical_property.py (#157) Testing with coveralls Report #197: Commit 0c0caad pushed by ndaelman-hu
December 11, 2024 08:23 1m 5s develop
develop
December 11, 2024 08:23 1m 5s
Update physical_property.py Testing with coveralls Report #196: Commit a7fdce8 pushed by TLCFEM
December 11, 2024 03:52 1m 3s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:52 1m 3s
Bump dependencies (#147) Testing with coveralls Report #195: Commit 50154d5 pushed by TLCFEM
December 11, 2024 03:51 1m 3s remove-dependency-of-placeholder
remove-dependency-of-placeholder
December 11, 2024 03:51 1m 3s
add a simple HF class Testing with coveralls Report #194: Commit c9d6118 pushed by EBB2675
December 10, 2024 13:43 1m 0s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 10, 2024 13:43 1m 0s
Add first rewrite Fermi surface Testing with coveralls Report #193: Commit 03f8906 pushed by ndaelman-hu
December 10, 2024 09:57 1m 5s test_new_physical_props
test_new_physical_props
December 10, 2024 09:57 1m 5s
errors to warnings Testing with coveralls Report #192: Commit 163f846 pushed by JFRudzinski
December 10, 2024 08:32 1m 5s cg-particle-support-JFR
cg-particle-support-JFR
December 10, 2024 08:32 1m 5s