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https://github.com/LCPQ/quantum_package
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21 lines
493 B
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21 lines
493 B
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CASSCF
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======
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This module is not a "real" CAS-SCF. It is an orbital optimization step done by :
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1) Doing the CAS+SD
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2) Taking one-electron density matrix
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3) Cancelling all active-active rotations
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4) Finding the order which matches with the input MOs
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Needed Modules
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==============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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Documentation
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=============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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