-
- Merged
- 3
updated -
Replace NAG testing with GCC+garble configuration 3 of 3 checklist items completed!10
- Merged
- 3
- Approved
updated -
Update test 770. Make hdf5 tests critical 3 of 3 checklist items completed!12
- Merged
- 2
- Approved
updated -
MKL+MPI matinv hotfix 3 of 3 checklist items completed!7
- Merged
- 14
- Approved
updated -
Fix sign error in genab.py 3 of 3 checklist items completed!13
- Merged
- 3
- Approved
updated -
Allow Seward to print properties of all orbitals (including virtual orbitals) 3 of 3 checklist items completed!11
- Merged
- 10
- Approved
updated -
Fix missing two-electron contribution with DFT 3 of 3 checklist items completed!14
- Merged
- 1
- Approved
updated -
Restore "new geometry" field after numerical gradients 3 of 3 checklist items completed!15
- Merged
- 1
- Approved
updated -
Added more LAPACK subroutines to delayed_util 3 of 3 checklist items completed!17
- Merged
- 2
- Approved
updated -
Deallocate memory and some other fixes 3 of 3 checklist items completed!18
- Merged
- Approved
updated -
Add a test with bounds checking 3 of 3 checklist items completed!19
- Merged
- Approved
updated -
Increase label length 3 of 3 checklist items completed!21
- Merged
- Approved
updated -
Add documentation 3 of 3 checklist items completed!22
- Merged
- Approved
updated -
Update READMEs and fix help_basis 3 of 3 checklist items completed!23
- Merged
- 2
- Approved
updated -
Fix link in README, version in banner, and CMake 3 of 3 checklist items completed!25
- Merged
- Approved
updated -
Fixed some ANO contractions for consistency 3 of 3 checklist items completed!26
- Merged
- Approved
updated -
Cleanup some linear algebra routines 3 of 3 checklist items completed!27
- Merged
- Approved
updated -
Mostly cosmetic fixes 3 of 3 checklist items completed!29
- Merged
- Approved
updated -
Update check_parallel_data.f 3 of 3 checklist items completed!30
- Merged
- 1
- Approved
updated -
Dev/sandx - fix bug in parallel MC-PDFT 3 of 3 checklist items completed!28
- Merged
- 2
- Approved
updated