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molcas

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BLOCK-MOLCAS interface written by N. Nakatani, Sep. 2014
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This contains only Block-side interface.
Molcas should also be changed with another part of this interface.

Finished contents:
- SS-CASSCF / SA-CASSCF
- Enables localized MOs for RASSCF routine
- cu4-SS-CASPT2

ToDo contents:
- CASPT2 intermediates from DMRG sweep
- MS-CASPT2 with transition RDMs
- Analytical gradient
- Reaction field
- Spin-orbit coupling