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qp_plugins_scemama/devel/casscf
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Anthony Scemama cf7601575a Added CASSCF
2020-10-26 13:45:08 +01:00
..
50.casscf.bats
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bavard.irp.f
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bielec_natorb.irp.f
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bielec.irp.f
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casscf.irp.f
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class.irp.f
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densities.irp.f
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det_manip.irp.f
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driver_optorb.irp.f
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EZFIO.cfg
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get_energy.irp.f
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grad_old.irp.f
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gradient.irp.f
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hessian.irp.f
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mcscf_fock.irp.f
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MORALITY
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natorb.irp.f
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NEED
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neworbs.irp.f
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README.rst
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reorder_orb.irp.f
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save_energy.irp.f
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superci_dm.irp.f
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swap_orb.irp.f
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test_pert_2rdm.irp.f
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tot_en.irp.f
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README.rst 

======
casscf
======

|CASSCF| program with the CIPSI algorithm.