scemama/qp_plugins_scemama
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qp_plugins_scemama/deprecated/casscf
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Anthony Scemama 282ebf07b1 Deprecated CASCF and CC plugins
2023-10-03 18:23:26 +02:00
..
50.casscf.bats
Deprecated CASCF and CC plugins
2023-10-03 18:23:26 +02:00
bavard.irp.f
Deprecated CASCF and CC plugins
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bielec_natorb.irp.f
Deprecated CASCF and CC plugins
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bielec.irp.f
Deprecated CASCF and CC plugins
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casscf.irp.f
Deprecated CASCF and CC plugins
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class.irp.f
Deprecated CASCF and CC plugins
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dav_sx_mat.irp.f
Deprecated CASCF and CC plugins
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densities_peter.irp.f
Deprecated CASCF and CC plugins
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densities.irp.f
Deprecated CASCF and CC plugins
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det_manip.irp.f
Deprecated CASCF and CC plugins
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driver_optorb.irp.f
Deprecated CASCF and CC plugins
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EZFIO.cfg
Deprecated CASCF and CC plugins
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get_energy.irp.f
Deprecated CASCF and CC plugins
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grad_old.irp.f
Deprecated CASCF and CC plugins
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gradient.irp.f
Deprecated CASCF and CC plugins
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hessian_old.irp.f
Deprecated CASCF and CC plugins
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hessian.irp.f
Deprecated CASCF and CC plugins
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mcscf_fock.irp.f
Deprecated CASCF and CC plugins
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MORALITY
Deprecated CASCF and CC plugins
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natorb.irp.f
Deprecated CASCF and CC plugins
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NEED
Deprecated CASCF and CC plugins
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neworbs.irp.f
Deprecated CASCF and CC plugins
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README.rst
Deprecated CASCF and CC plugins
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reorder_orb.irp.f
Deprecated CASCF and CC plugins
2023-10-03 18:23:26 +02:00
save_energy.irp.f
Deprecated CASCF and CC plugins
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superci_dm.irp.f
Deprecated CASCF and CC plugins
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swap_orb.irp.f
Deprecated CASCF and CC plugins
2023-10-03 18:23:26 +02:00
test_pert_2rdm.irp.f
Deprecated CASCF and CC plugins
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TODO
Deprecated CASCF and CC plugins
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tot_en.irp.f
Deprecated CASCF and CC plugins
2023-10-03 18:23:26 +02:00

README.rst 

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

|CASSCF| program with the CIPSI algorithm.