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import psi4
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import forte
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h2o = psi4.geometry("""
O
H 1 0.96
H 1 0.96 2 104.5
""")
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psi4.set_options({'basis': "sto-3g"})
# psi4.set_module_options("FORTE", {'job_type': "fci"})
E_scf, wfn = psi4.energy('scf', return_wfn=True)
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state = forte.StateInfo(5,5,1,0,0)
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dim = psi4.core.Dimension([4,0,1,2])
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forte.startup()
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forte.banner()
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options = psi4.core.get_options()
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options.set_current_module('FORTE')
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forte.forte_options.update_psi_options(options)
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mo_space_info = forte.make_mo_space_info(wfn, forte.forte_options)
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ints = forte.make_forte_integrals(wfn, options, mo_space_info)
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# actv_dim, core_mo, actv_mo, state, ints, mo_space_info, guess_per_root, print, psi_options
active_space_solver_type = options.get_str('ACTIVE_SPACE_SOLVER')
as_ints = forte.make_active_space_ints(mo_space_info, ints, "ACTIVE", ["RESTRICTED_DOCC"]);
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# forte.forte_old_methods(wfn, options, ints, mo_space_info)
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ints.ncmo()
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