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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
EZFIO.cfg Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
MORALITY Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
NEED Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
README.rst Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
TODO Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
bavard.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
bielec.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
bielec_natorb.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
casscf.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
class.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
dav_sx_mat.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
densities.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
densities_peter.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
det_manip.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
driver_optorb.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
get_energy.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
grad_old.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
gradient.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
hessian.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
hessian_old.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
mcscf_fock.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
natorb.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
neworbs.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
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 2023-10-03 18:23:26 +02:00
superci_dm.irp.f Deprecated CASCF and CC plugins 2023-10-03 18:23:26 +02:00
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 2023-10-03 18:23:26 +02:00
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.