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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-22 21:22:25 +02:00
QuantumPackage/src/casscf_cipsi
2023-09-15 11:37:11 +02:00
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50.casscf.bats Fixed Conflict 2023-09-15 11:37:11 +02:00
bavard.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
bielec_natorb.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
bielec.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
casscf.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
class.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
dav_sx_mat.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
densities_peter.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
densities.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
det_manip.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
driver_optorb.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
EZFIO.cfg Fixed Conflict 2023-09-15 11:37:11 +02:00
get_energy.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
grad_old.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
gradient.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
hessian_old.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
hessian.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
mcscf_fock.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
natorb.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
NEED Fixed Conflict 2023-09-15 11:37:11 +02:00
neworbs.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
README.rst Fixed Conflict 2023-09-15 11:37:11 +02:00
reorder_orb.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
save_energy.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
superci_dm.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
swap_orb.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00
tot_en.irp.f Fixed Conflict 2023-09-15 11:37:11 +02:00

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casscf
======

|CASSCF| program with the CIPSI algorithm.