Fix bug in Davidson-Liu and upgrade tests to use Forte's MCSCF code #305
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Description
This PR started with the goal of fixing a small issue with the python test cases. The problem was easily fixed by zeroing the sigma vectors upon collapse of the Davidson-Liu solutions. However, due to changes in psi4 many test cases that use the MCSCF module in psi4 failed to pass. This was a good motivation to move all tests to use Forte's MCSCF_TWO_STEP code.
User Notes
mcscf
to usemcscf_two_step
mrdsrg-ldsrg2-qc-df-2
Checklist
output.ref
file