Improve integration with MOLCAS

[kszenes]

Quick Fixes

• [x] Print if Fiedler ordering has been activated in the output
• [x] Fix state-averaged Fiedler ordering
• [ ] Clarify mandatory parameters in OpenMolcas input and update documentation (with defaults)
• [ ] Make location of output files consistent with OpenMolcas

Larger Changes

• [ ] Unify DMRGSCF/MPSSI and RASSCF/RASSI interface

Potential bugs

• [ ] Non-deterministic number of DMRGSCF iterations when running multi-threaded