Restoring previous smith changes to new gradient branch.
Merge remote-tracking branch 'refs/remotes/origin/master' into mrpt2_gradient
minor
Updated caspt2 code for new CPCASSCF. Added target state and fixed dsa.
Cleanup. Removed denominator in caspt2grad as made in cpcasscf.
minor
Dtot only needs to be constructed once and can be used in both Y4 and Y5. Dtot does not need to be transposed in apply 2rdm function.
Constructing Y4 and Y5 parts stepwise. Cleanup by removing unecessary rdm2_mat functions. Total Y symmetry problem persists.
minor
Merge branch 'master' into mrpt2_gradient
minor
fix to compile (but still does not look right)
fix a bug
minor
minor cleanup
A bug found in caspt2grad. Factor of 1/2 missing for Dtot terms. Relaxed dipole is much closer but still off.
cleanup
Actually factor broke symmetry properties, reverting.
passing coefficient from outside
Merge commit 'ea0a1e8cc9153e0254b0a78443d37db395f187da' into mrpt2_gradient