Merge remote-tracking branch 'refs/remotes/origin/master' into mrpt2_gradient
cI derivative correction added. This term is correct when there are no closed orbitals. Need to fix for closed orbitals.
bug fix in sigma.
Adding updated smith ccaa code. CASPT2 relaxed dipole is correct for FH molecule with 2 active orbitals and 3 closed. Relaxed dipole is not correct however for 3 closed and 2 active.
Merge remote-tracking branch 'refs/remotes/origin/master' into mrpt2_gradient

Conflicts:
	src/smith/CAS_test.h
	src/smith/CAS_test_tasks.h
Restoring master files as as they were not merged correctly.
Add new ccaa smith files which are compatible with new smith input block.
Merge remote-tracking branch 'refs/remotes/origin/master' into mrpt2_gradient
Merge remote-tracking branch 'refs/remotes/origin/master' into mrpt2_gradient
Merge branch 'frozen' into mrpt2_gradient
still need to check, but looks reasonable. all the terms implemented.
Merge branch 'mrpt2_gradient' into geom

Conflicts:
	src/smith/CAS_test.h
	src/smith/caspt2grad.cc
bug fix in matthew's code
forgot to add this
bug fix in matthew's code
forgot to add this
dgemm call was done wrongly. Also dgemv is more efficient. This fixes all the problem
Merge branch 'mrpt2_gradient' into geom

Conflicts:
	src/smith/spinfreebase.h
oops
minor fix