mirror of
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| .. | ||
| casscf.irp.f | ||
| EZFIO.cfg | ||
| H_apply.irp.f | ||
| NEEDED_CHILDREN_MODULES | ||
| README.rst | ||
====== CASSCF ====== This module is not a "real" CAS-SCF. It is an orbital optimization step done by : 1) Doing the CAS+SD 2) Taking one-electron density matrix 3) Cancelling all active-active rotations 4) Finding the order which matches with the input MOs Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script.