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initial version of Jochen's MCD print code. 3 of 3 checklist items completed!88
- Merged
- 2
- Approved
updated -
Automatic MR pipelines 3 of 3 checklist items completed!76
- Merged
- 1
- Approved
updated -
Fixed argument mismatch in Dyson call from gtdmctl. 3 of 3 checklist items completed!86
- Merged
- 4
- Approved
updated -
Merging of Dyson orbital implementation into the main code 3 of 3 checklist items completed!78
- Merged
- 14
- Approved
updated -
Update Baker test sets 3 of 3 checklist items completed!83
- Merged
- 2
- Approved
updated -
MC-PDFT with tOPBE and ftOPBE 3 of 3 checklist items completed!82
- Merged
- 2
updated -
Split of prprop. 3 of 3 checklist items completed!77
- Merged
- 7
- Approved
updated -
Correct numerical intensities 3 of 3 checklist items completed!75
- Merged
- Approved
updated -
Add def2-SVP basis set 3 of 3 checklist items completed!73
- Merged
- 2
- Approved
updated -
Some simple GASSCF fixes 3 of 3 checklist items completed!69
- Merged
- 7
- Approved
updated -
Doc, test and CI fixes 3 of 3 checklist items completed!68
- Merged
- Approved
updated -
Rearrange GitLab CI configuration 3 of 3 checklist items completed!66
- Merged
- Approved
updated -
Rename aniso codes 3 of 3 checklist items completed!65
- Merged
- 1
- Approved
updated -
Fix size in job2asc and asc2job 3 of 3 checklist items completed!64
- Merged
- 1
- Approved
updated -
Master 3 of 3 checklist items completed!63 rassi_fixes
- Merged
- 1
- Approved
updated -
Change order in which states are diplayed in RASSI 3 of 3 checklist items completed!61
- Merged
- 4
- Approved
updated