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Code modernization (slapaf, slapaf_util) 3 of 3 checklist items completed!644
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- 1
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Resolve "WFA allocation" 3 of 3 checklist items completed!643
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WFA symmetry 3 of 3 checklist items completed!642
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Draft: Resolve "WFA symmetry" 0 of 3 checklist items completed!641
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RASSI: Save spin matrix in HDF5 3 of 3 checklist items completed!640
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RASSI orbital files 3 of 3 checklist items completed!639
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- 1
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FCIQMC-CASPT2 3 of 3 checklist items completed!638
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introduce root resolved norm of electronic gradient 3 of 3 checklist items completed!637
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Resolve "Add transition charges to WFA" 3 of 3 checklist items completed!636
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Implement g-family of CASPT2 Fock operators with Cholesky decomposition 3 of 3 checklist items completed!635
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CI: Pass MR source project 3 of 3 checklist items completed!634
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fixing MC-PDFT manual and checking KSDFT keyword in &MCPDFT 3 of 3 checklist items completed!633
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- 6
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Generalize rysutil to generate two-electron 1/r³ and 1/r⁵ integrals. 3 of 3 checklist items completed!632
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1CCD option for numerical gradients. 3 of 3 checklist items completed!631
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- 3
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Cleanup of SCF code 3 of 3 checklist items completed!630
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Fix error when CD/RI vectors are in batches. 3 of 3 checklist items completed!629
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- 1
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Some bug fixes 3 of 3 checklist items completed!628
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Code modernization (level) 3 of 3 checklist items completed!627
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- 8
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Resolve conflicting file names. 3 of 3 checklist items completed!626
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- 2
- Approved
updated