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Only d-shell of Pople basis sets is Cartesian 3 of 3 checklist items completed!431
- Merged
- Approved
updated -
X2C Hyperfine coupling code 3 of 3 checklist items completed!427
- Merged
- 49
- Approved
updated -
Fix NTO calculation with MPSSI 3 of 3 checklist items completed!429
- Merged
- Approved
updated -
Basis set cleanup 3 of 3 checklist items completed!428
- Merged
- Approved
updated -
Fixes for aarch64 and macOS 3 of 3 checklist items completed!420
- Merged
- Approved
updated -
Cholesky clean up and new data structures 3 of 3 checklist items completed!426
- Merged
- 2
- Approved
updated -
Make sure the dummy shell is excluded. 3 of 3 checklist items completed!425
- Merged
- 1
- Approved
updated -
More code modernization 3 of 3 checklist items completed!424
- Merged
- Approved
updated -
Ri util updates 3 of 3 checklist items completed!423
- Merged
- Approved
updated -
Change CASPT2 energy output depending on variant 3 of 3 checklist items completed!422
- Merged
- 4
- Approved
updated -
Add argsort to unit tests 3 of 3 checklist items completed!421
- Merged
- 3
- Approved
updated -
Fix Cartesian constraints and VarR/VarT 3 of 3 checklist items completed!419
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- Approved
updated -
Fix "correction" of symmetry coordinates 3 of 3 checklist items completed!417
- Merged
- Approved
updated -
More code modernization 3 of 3 checklist items completed!415
- Merged
- Approved
updated -
Cleanup Fock util routines (except ldf routines). 3 of 3 checklist items completed!413
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- Approved
updated -
More code modernization 3 of 3 checklist items completed!412
- Merged
- Approved
updated -
Relax check in GAS check input 3 of 3 checklist items completed!411
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- Approved
updated -
Further code modernization 3 of 3 checklist items completed!409
- Merged
- 1
- Approved
updated -
Fix bug that makes test 852 fail. 3 of 3 checklist items completed!408
- Merged
- Approved
updated