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spin-correlation function bugfix 3 of 3 checklist items completed!647
- Merged
- Approved
updated -
Resolve "WFA allocation" 3 of 3 checklist items completed!643
- Merged
- Approved
updated -
Code modernization (slapaf, slapaf_util) 3 of 3 checklist items completed!644
- Merged
- 1
- Approved
updated -
WFA symmetry 3 of 3 checklist items completed!642
- Merged
- Approved
updated -
RASSI: Save spin matrix in HDF5 3 of 3 checklist items completed!640
- Merged
- Approved
updated -
RASSI orbital files 3 of 3 checklist items completed!639
- Merged
- 1
- Approved
updated -
introduce root resolved norm of electronic gradient 3 of 3 checklist items completed!637
- Merged
- Approved
updated -
FCIQMC-CASPT2 3 of 3 checklist items completed!638
- Merged
- Approved
updated -
Resolve "Add transition charges to WFA" 3 of 3 checklist items completed!636
- Merged
- Approved
updated -
fixing MC-PDFT manual and checking KSDFT keyword in &MCPDFT 3 of 3 checklist items completed!633
- Merged
- 6
- Approved
updated -
CI: Pass MR source project 3 of 3 checklist items completed!634
- Merged
- Approved
updated -
1CCD option for numerical gradients. 3 of 3 checklist items completed!631
- Merged
- 3
- Approved
updated -
Code modernization (level) 3 of 3 checklist items completed!627
- Merged
- 8
- Approved
updated -
- Merged
- 10
- Approved
updated -
Cleanup of SCF code 3 of 3 checklist items completed!630
- Merged
- Approved
updated -
Fix error when CD/RI vectors are in batches. 3 of 3 checklist items completed!629
- Merged
- 1
- Approved
updated -
Some bug fixes 3 of 3 checklist items completed!628
- Merged
- Approved
updated -
Gateway: Allow multiple BASIS keywords (with COORD) 3 of 3 checklist items completed!621
- Merged
- Approved
updated -
MC-PDFT Cleanup (Part 2) 3 of 3 checklist items completed!622
- Merged
- 5
- Approved
updated