4pdm initial code
4pdm initial
4pdm initial
refactored npdm operator files
refactored npdm operator files
refactored npdm operator files
added RI3index operator class
added RI4index class
4d_para_array bug fixed
3-index 4-index ops
4pdm self-consistent up to inclusion of 3-index ops, but some (DD) minus signs fudged at wrapper level
RI (CD)(DD) operator broken, but (CDD)(D) instead seems OK
RI-4PDM seems to be working, but some RI-4-index ops don't work with (XX)(XX) pattern
fixed (XX)(XX) RI-4-index ops problem
4-index CCDD works with 1-site
Full CCDD seems ok -- note we had to fix allocation bug
reworked/checked signs in 3-index ops and explicitly added DCC op because Tr(DDC) wrapper had sign problems
added explicit DD operator and built all higher ops using it; removed some dubious transpose(CC) and minus signs
fourpdm with general 4-index ops correct (compared to RI ops) except CDDD not yet implemented
Implemented explicit DDD and CDDD ops. Full 4pdm looks good with no RI approximation.  Tested with 4 orbitals.