Noncollinear and spin-orbit implementation for k-point Hamiltonian in AFQMC#2734

Merged

ye-luo merged 14 commits intoQMCPACK:developfrom mmorale3:spinorbit

Oct 2, 2020

+985-516

Commits on Sep 7, 2020

Commits on Sep 10, 2020

working commit, making changes to KPFactorizedHamiltonian, not yet done
mmorale3
committed

Commits on Sep 15, 2020

fixed HamOps unit test to handle all types, fixed cholesky rotation routines and get_psiK to handle noncollinear, still not done with KP ham ops
mmorale3
committed
noncollinear changes to SlaterDetOps and Wfn, unit tests in both pass on cpu
mmorale3
committed

Commits on Sep 16, 2020

Commits on Sep 30, 2020

fix small bug with padding of H1 in GPU
mmorale3
committed