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.. | ||
bavard.irp.f | ||
bielec_natorb.irp.f | ||
bielec.irp.f | ||
casscf.irp.f | ||
change_bitmasks.irp.f | ||
cipsi_routines.irp.f | ||
cisd_routine.irp.f | ||
cisdtq_routine.irp.f | ||
class.irp.f | ||
densities.irp.f | ||
det_manip.irp.f | ||
driver_optorb.irp.f | ||
EZFIO.cfg | ||
get_energy.irp.f | ||
gradient.irp.f | ||
h_apply.irp.f | ||
hessian.irp.f | ||
mcscf_fock.irp.f | ||
natorb.irp.f | ||
NEED | ||
neworbs.irp.f | ||
README.rst | ||
save_energy.irp.f | ||
tot_en.irp.f |
====== casscf ====== |CASSCF| program with the CIPSI algorithm.