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Resolve conflicting file names. 3 of 3 checklist items completed!626
- Merged
- 2
- Approved
updated -
Complete update to f90 format for the SCF directory. 3 of 3 checklist items completed!625
- Merged
- 1
- Approved
updated -
Modernize the SCF code 3 of 3 checklist items completed!619
- Merged
- Approved
updated -
Code modernization (espf_util, ccsd_util, chcc) 3 of 3 checklist items completed!624
- Merged
- Approved
updated -
CMS-PDFT NACs 3 of 3 checklist items completed!623
- Merged
- 10
- Approved
updated -
added repermute 3 of 3 checklist items completed!620
- Merged
- Approved
updated -
MCPDFT Module Cleanup 3 of 3 checklist items completed!618
- Merged
- 6
- Approved
updated -
Slapaf: RVO for conical intersections 3 of 3 checklist items completed!616
- Merged
- Approved
updated -
1-center corrected RI 3 of 3 checklist items completed!614
- Merged
- 7
- Approved
updated -
Implementation of updated and new SCF optimization procedures. 2 of 3 checklist items completed!613
- Merged
- Approved
updated -
A couple of fixes 3 of 3 checklist items completed!612
- Merged
- 1
- Approved
updated -
corrected parameters OCA 3 of 3 checklist items completed!611
- Merged
- Approved
updated -
Fix SS-CASPT2 with MULT bug 3 of 3 checklist items completed!610
- Merged
- Approved
updated -
Add FNO-RASPT2, on behalf of F. Aquilante 3 of 3 checklist items completed!602
- Merged
- Approved
updated -
ensure that gradients and NACs are printed with original values, unscaled 3 of 3 checklist items completed!587
- Merged
- 2
- Approved
updated -
Outsource pipelines 3 of 3 checklist items completed!609
- Merged
- 3
- Approved
updated -
apply a threshold on prwf_biorth.F90 3 of 3 checklist items completed!608
- Merged
- Approved
updated -
Fix bug in SS gradients after SA gradients 3 of 3 checklist items completed!607
- Merged
- Approved
updated -
Add test for RHODYN 3 of 3 checklist items completed!605
- Merged
- 12
- Approved
updated -
WFA update 3 of 3 checklist items completed!606
- Merged
- Approved
updated