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qp2/src/casscf_cipsi
History
eginer 8c4a7226cd minor changes
2023-07-10 11:32:06 +02:00
..
50.casscf.bats
added casscf_cipsi
2023-06-18 21:42:40 +02:00
bavard.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
bielec_natorb.irp.f
added casscf_cipsi
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bielec.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
casscf.irp.f
minor changes
2023-07-10 11:32:06 +02:00
class.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
dav_sx_mat.irp.f
added casscf_cipsi
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densities_peter.irp.f
added casscf_cipsi
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densities.irp.f
added casscf_cipsi
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det_manip.irp.f
added casscf_cipsi
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driver_optorb.irp.f
added casscf_cipsi
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EZFIO.cfg
added casscf_cipsi
2023-06-18 21:42:40 +02:00
get_energy.irp.f
added casscf_cipsi
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grad_old.irp.f
added casscf_cipsi
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gradient.irp.f
added casscf_cipsi
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hessian_old.irp.f
added casscf_cipsi
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hessian.irp.f
added casscf_cipsi
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mcscf_fock.irp.f
added casscf_cipsi
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natorb.irp.f
added casscf_cipsi
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NEED
added casscf_cipsi
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neworbs.irp.f
added casscf_cipsi
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README.rst
added casscf_cipsi
2023-06-18 21:42:40 +02:00
reorder_orb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
save_energy.irp.f
minor changes
2023-07-10 11:32:06 +02:00
superci_dm.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
swap_orb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
tot_en.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00

README.rst 

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

|CASSCF| program with the CIPSI algorithm.