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Apply ruff Installing and Testing #981: Commit adc66ef pushed by ndaelman-hu
1m 54s add-representation-section
add-representation-section
1m 54s
Merge branch 'origin/develop' into add-representation-section Installing and Testing #980: Commit df49daf pushed by ndaelman-hu
1m 51s add-representation-section
add-representation-section
1m 51s
Electronic structure navigation (#215) Installing and Testing #979: Commit 035d19d pushed by ndaelman-hu
1m 43s develop
develop
1m 43s
Complete Representation refactoring: modernize tests and remove backw… Installing and Testing #978: Commit cb4a95d pushed by ndaelman-hu
1m 42s add-representation-section
add-representation-section
1m 42s
Merge remote-tracking branch 'origin/develop' into add_system_orbitals Installing and Testing #977: Commit bc171c5 pushed by ndaelman-hu
2m 11s add_system_orbitals
add_system_orbitals
2m 11s
minor changes, add TODO, remove default mo_type, ruff Installing and Testing #976: Commit 2eafd84 pushed by EBB2675
1m 44s molecular-orbitals
molecular-orbitals
1m 44s
fix docstring about column major format Installing and Testing #975: Commit ce5e9a5 pushed by EBB2675
1m 50s molecular-orbitals
molecular-orbitals
1m 50s
MolecularOrbitals according to TREXIO format Installing and Testing #974: Commit 97118d6 pushed by EBB2675
1m 48s molecular-orbitals
molecular-orbitals
1m 48s
dft implementation Installing and Testing #973: Commit ef1b580 pushed by EBB2675
1m 44s develop
develop
1m 44s
MolecularOrbitals according to TREXIO format Installing and Testing #972: Commit 6828c25 pushed by EBB2675
1m 36s molecular-orbitals
molecular-orbitals
1m 36s
- Roll out reviewer feedback to other files too Installing and Testing #971: Commit 6e197a5 pushed by ndaelman-hu
1m 58s add_system_orbitals
add_system_orbitals
1m 58s
Update documentation to reflect Pattern A architecture Installing and Testing #970: Commit 08efa49 pushed by ndaelman-hu
1m 46s add_system_orbitals
add_system_orbitals
1m 46s
Update documentation to reflect Pattern A architecture Installing and Testing #969: Commit 9582f9c pushed by ndaelman-hu
2m 59s add_system_orbitals
add_system_orbitals
2m 59s
Refactor Occupancy class to use Pattern A (ElectronicState gateway) Installing and Testing #968: Commit e27c38c pushed by ndaelman-hu
1m 45s add_system_orbitals
add_system_orbitals
1m 45s
Merge branch 'develop' into add_system_orbitals Installing and Testing #967: Commit 7021ba0 pushed by ndaelman-hu
6h 0m 20s add_system_orbitals
add_system_orbitals
6h 0m 20s
simplify mermaids Installing and Testing #966: Commit 2f12021 pushed by JFRudzinski
43s auto-generate-docs
auto-generate-docs
43s
- Explain design philosophy in docs Installing and Testing #965: Commit a7404bf pushed by ndaelman-hu
6h 0m 29s add_system_orbitals
add_system_orbitals
6h 0m 29s
- Deactivate automated kappa and j derivations, as it may give the wr… Installing and Testing #964: Commit 13c2e22 pushed by ndaelman-hu
6h 0m 26s add_system_orbitals
add_system_orbitals
6h 0m 26s
- Add docs of how quantum numbers are related, indicating how they ca… Installing and Testing #963: Commit bdbee91 pushed by ndaelman-hu
6h 0m 20s add_system_orbitals
add_system_orbitals
6h 0m 20s
Fix import (#279) Installing and Testing #962: Commit ed328f3 pushed by ladinesa
1m 46s develop
develop
1m 46s
Fix import Installing and Testing #961: Commit 886f0bf pushed by ladinesa
1m 44s fix-context-import
fix-context-import
1m 44s
sprint-dft-qchem: squash of feature work Installing and Testing #960: Commit e0e8c57 pushed by EBB2675
1m 42s sprint-dft-qchem
sprint-dft-qchem
1m 42s
add todo for jacobs ladder Installing and Testing #959: Commit 0dd9b0b pushed by EBB2675
1m 36s sprint-dft-qchem
sprint-dft-qchem
1m 36s
WIP: rebase Installing and Testing #958: Commit ac07fd5 pushed by EBB2675
1m 43s sprint-dft-qchem
sprint-dft-qchem
1m 43s
Migrate md (#261) Installing and Testing #957: Commit 1873989 pushed by JFRudzinski
1m 46s develop
develop
1m 46s