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quantum_package/data/ezfio_defaults/full_ci.ezfio_default
2015-03-26 20:32:59 +01:00

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full_ci
n_det_max_fci 10000
n_det_max_fci_property 50000
pt2_max 1.e-4
do_pt2_end True
var_pt2_ratio 0.75