mirror of
https://github.com/LCPQ/quantum_package
synced 2024-07-07 20:05:56 +02:00
28 lines
764 B
Plaintext
28 lines
764 B
Plaintext
cis_dressed
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n_state_cis 10
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n_core_cis 0
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n_act_cis mo_basis_mo_tot_num
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mp2_dressing False
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standard_doubles True
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en_2_2 False
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determinants
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n_states 1
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n_states_diag determinants_n_states
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n_det_max_jacobi 1000
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threshold_generators 0.99
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threshold_selectors 0.999
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read_wf False
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s2_eig False
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only_single_double_dm False
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all_singles
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n_det_max_fci 50000
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pt2_max 1.e-8
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do_pt2_end False
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cassd
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n_det_max_cassd 10000
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pt2_max 1.e-4
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do_pt2_end True
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