MC-PDFT unittests stabilize (#3245)#3263
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In MC-PDFT unittests which perform a variety of calculations on LiH, SA-MCSCF calculations sometimes converge to different solutions. Try to control this by initializing all calc'ns with converged orbitals from high-symmetry version in setup.
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In MC-PDFT unittests which perform a variety of calculations on LiH, SA-MCSCF calculations sometimes converge to different solutions. Try to control this by initializing all calc'ns with converged orbitals from high-symmetry version in setup.