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-----------------------------------------------------------------
    version:       26.9.60
    developed by:  Leandro Seixas Rocha
    website:       https://mandacaru.seixas.dev
    repository:    https://github.com/seixas-research/mandacaru
    documentation: https://mandacaru.readthedocs.io/
-----------------------------------------------------------------

System:
├── architecture: arm64
├── platform:     Darwin
├── user:         leseixas
├── hostname:     safira
├── cwd:          /Users/leseixas/Library/CloudStorage/Dropbox/Repositories/seixas-research/mandacaru/examples
└── PID:          95739

Python:
├── version:    3.14.7 | packaged by conda-forge | (main, Sep  2 2026, 21:04:32) [Clang 20.1.8 ]
└── executable: /Users/leseixas/miniconda3/envs/mandacaru/bin/python

Dependencies:
├── ase version:         3.29.0     [/Users/leseixas/miniconda3/envs/mandacaru/lib/python3.14/site-packages/ase]
├── numpy version:       2.5.3      [/Users/leseixas/miniconda3/envs/mandacaru/lib/python3.14/site-packages/numpy]
├── scipy version:       1.18.1     [/Users/leseixas/miniconda3/envs/mandacaru/lib/python3.14/site-packages/scipy]
├── matplotlib version:  3.11.2     [/Users/leseixas/miniconda3/envs/mandacaru/lib/python3.14/site-packages/matplotlib]
└── qiskit version:      2.5.2      [/Users/leseixas/miniconda3/envs/mandacaru/lib/python3.14/site-packages/qiskit]

========================================================================
    VASQA (QEBPool)
========================================================================

[SYSTEM]
    step: 1
    units: Angstrom
    n_atoms: 3
    geometry:
        O       5.0000000000     5.0000000000     5.0000000000
        H       5.0000000000     5.7574806116     5.5865041543
        H       5.0000000000     4.2425193884     5.5865041543
    cell_present: True
    cell_vectors:
        a1 = [ 10.0000000000   0.0000000000   0.0000000000]
        a2 = [  0.0000000000  10.0000000000   0.0000000000]
        a3 = [  0.0000000000   0.0000000000  10.0000000000]
    cell_lengths: a=10.0000000000 b=10.0000000000 c=10.0000000000
    cell_angles: alpha=90.000000 beta=90.000000 gamma=90.000000
    pbc: a=True b=True c=True (3-D, periodic along a, b, c)
    initial_magnetic_moments: [0.0, 0.0, 0.0]

[BASIS]
    name: HAO
    family: all-electron
    nuclear_cusp_softening: 0.2835 Bohr
    basis_functions: 7
    frozen_orbitals: 1 [0]
    functions:
        symbol  atoms  functions_per_atom
        ---------------------------------
        O       1      5
        H       2      1

[ELECTRONS]
    grid spacing: 0.3 Angstrom (requested)
    grid points: 34 x 34 x 34 (spacing 0.3000 x 0.3000 x 0.3000 Angstrom)
    kinetic operator: finite difference
    k-points: Gamma (1x1x1 Monkhorst-Pack)
    charge: 0
    spin-polarized: False (multiplicity 1)
    reference state: hartree-fock
    frozen core: auto
    active space: 6 active, 1 frozen of 7 spatial orbitals
    Z2 tapering: none
    mapping: Jordan-Wigner
    Hamiltonian: 551 Pauli terms
    spatial orbitals: 6
    electrons (alpha, beta): (4, 4)
    qubits: 12

[OPTIMIZATION SETUP]
    classical_optimizer: SLSQP
    pool: qeb
    pool_class: QEBPool
    pool_size: 92
    proposal: gradient softmax (tau 0.2 of max |grad|), Metropolis-Hastings
    max_steps: 200
    ansatz_length: 0 to 50
    move_weights: insert 0.5, delete 0.3, replace 0.1, swap 0.1
    architecture_temperature_eV: 0.2 -> 0.0001 (geometric)
    length_penalty_eV: 0.0001
    warm_start: True
    seed: 2026
    energy_column: relaxed energy of the proposed ansatz
    dE_column: proposed minus current energy, before the acceptance test
    reoptimize_all_parameters: True
    state_vector_backend: sparse matrices, 2^12 amplitudes
    device: AER_simulator
    backend_provider: qiskit
    circuit_execution: False
    shots: 0 (exact expectation values)
    circuit_profiling: True (the reported ansatz only)
    energy_unit: eV
    reference_energy_eV: -1323.3908771501

[MARKOV CHAIN]
     step     time    move   L    energy (eV)         dE   current (eV)          T     ln(a)  acc   steps action
    ------------------------------------------------------------------------------------------------------------
        1 08:48:32  insert   1   -1323.601863  -0.210986   -1323.601863  2.000e-01    +0.673  yes       3 insert(QD(2,8->4,10)@0)
        2 08:48:32  insert   2   -1323.618970  -0.017107   -1323.618970  1.925e-01    +0.986  yes       3 insert(QD(1,7->5,11)@1)
        3 08:48:32  insert   3   -1323.649327  -0.030357   -1323.649327  1.853e-01    +1.022  yes       5 insert(QD(1,7->4,10)@1)
        4 08:48:32    swap   3   -1323.649317  +0.000010   -1323.649317  1.783e-01    -0.000  yes       1 swap(1,2)
        5 08:48:32  delete   2   -1323.618970  +0.030347   -1323.649317  1.717e-01    -1.035   no       4 delete(2)
        6 08:48:32 replace   3   -1323.648650  +0.000667   -1323.648650  1.652e-01    +0.038  yes       4 replace(1->QD(0,6->5,11))
        7 08:48:32  insert   4   -1323.664261  -0.015611   -1323.664261  1.590e-01    +0.632  yes       7 insert(QD(1,7->5,11)@1)
        8 08:48:32  delete   3   -1323.633892  +0.030368   -1323.633892  1.531e-01    -0.791  yes       3 delete(3)
        9 08:48:32  insert   4   -1323.661587  -0.027694   -1323.661587  1.473e-01    +0.976  yes       4 insert(QD(0,6->4,10)@0)
       10 08:48:33  insert   5   -1323.689074  -0.027487   -1323.689074  1.418e-01    +0.506  yes       5 insert(QD(1,7->4,10)@3)
       11 08:48:33  delete   4   -1323.480853  +0.208222   -1323.689074  1.365e-01    -1.575   no       2 delete(1)
       12 08:48:33  insert   6   -1323.701098  -0.012024   -1323.701098  1.314e-01    +0.761  yes       2 insert(QD(2,8->5,10)@2)
       13 08:48:33    swap   6   -1323.701098  +0.000000   -1323.701098  1.265e-01    +0.000  yes       1 swap(4,5)
       14 08:48:33  delete   5   -1323.689074  +0.012023   -1323.689074  1.217e-01    -0.768  yes       1 delete(2)
       15 08:48:33  delete   4   -1323.480853  +0.208222   -1323.689074  1.172e-01    -1.827   no       2 delete(1)
       16 08:48:33  insert   6   -1323.691304  -0.002230   -1323.691304  1.128e-01    +3.199  yes       5 insert(QD(1,7->5,10)@2)
       17 08:48:33  delete   5   -1323.675468  +0.015836   -1323.675468  1.085e-01    -0.403  yes       5 delete(3)
       18 08:48:33  insert   6   -1323.691299  -0.015831   -1323.691299  1.045e-01    +0.408  yes       8 insert(QD(1,7->5,11)@2)
       19 08:48:33  delete   5   -1323.675468  +0.015831   -1323.675468  1.006e-01    -0.414  yes       5 delete(2)
       20 08:48:33  insert   6   -1323.687447  -0.011979   -1323.687447  9.680e-02    +2.193  yes       3 insert(QD(2,8->5,10)@4)
       21 08:48:33  insert   7   -1323.703262  -0.015815   -1323.703262  9.317e-02    +0.348  yes       8 insert(QD(1,7->5,11)@0)
       22 08:48:34    swap   7   -1323.703264  -0.000002   -1323.703264  8.968e-02    +0.000  yes       1 swap(1,5)
       23 08:48:34  insert   8   -1323.714842  -0.011578   -1323.714842  8.632e-02    +0.420  yes       3 insert(QD(2,8->4,11)@7)
       24 08:48:34  delete   7   -1323.700451  +0.014391   -1323.714842  8.308e-02    -0.285   no       6 delete(4)
       25 08:48:34    swap   8   -1323.714842  +0.000000   -1323.714842  7.997e-02    +0.000  yes       1 swap(1,6)
       26 08:48:34  delete   7   -1323.507096  +0.207745   -1323.714842  7.697e-02    -2.713   no       2 delete(2)
       27 08:48:34  insert   9   -1323.716967  -0.002125   -1323.716967  7.409e-02    +1.694  yes       5 insert(QD(1,7->4,11)@1)
       28 08:48:34  delete   8   -1323.700971  +0.015996   -1323.700971  7.131e-02    -0.312  yes       5 delete(0)
       29 08:48:35  insert   9   -1323.716967  -0.015996   -1323.716967  6.864e-02    +0.321  yes       8 insert(QD(1,7->5,11)@4)
       30 08:48:35  delete   8   -1323.700971  +0.015996   -1323.716967  6.607e-02    -0.330   no       5 delete(4)
       31 08:48:35    swap   9   -1323.716986  -0.000018   -1323.716986  6.359e-02    +0.000  yes       1 swap(2,8)
       32 08:48:35    swap   9   -1323.716986  +0.000000   -1323.716986  6.121e-02    -0.000  yes       1 swap(1,2)
       33 08:48:35  delete   8   -1323.705457  +0.011529   -1323.705457  5.891e-02    -0.444  yes       2 delete(7)
       34 08:48:35    swap   8   -1323.705448  +0.000009   -1323.705448  5.671e-02    -0.000  yes       1 swap(6,7)
       35 08:48:35 replace   8   -1323.695104  +0.010344   -1323.695104  5.458e-02    +2.274  yes       5 replace(1->QD(0,6->5,10))
       36 08:48:36  insert   9   -1323.696690  -0.001586   -1323.696690  5.253e-02    +3.514  yes       5 insert(QD(0,6->4,11)@1)
       37 08:48:36 replace   9   -1323.693929  +0.002762   -1323.693929  5.057e-02    +0.375  yes       5 replace(6->QD(2,8->5,10))
       38 08:48:36  delete   8   -1323.677069  +0.016860   -1323.693929  4.867e-02    -0.841   no       2 delete(5)
       39 08:48:36  insert  10   -1323.708612  -0.014683   -1323.708612  4.685e-02    +0.470  yes       8 insert(QD(0,6->5,11)@3)
       40 08:48:36  insert  11   -1323.708612  +0.000000   -1323.708612  4.509e-02    +5.198  yes       1 insert(QD(2,6->4,10)@10)
       41 08:48:36  delete  10   -1323.692614  +0.015998   -1323.708612  4.340e-02    -0.510   no       5 delete(6)
       42 08:48:37  insert  12   -1323.720089  -0.011477   -1323.720089  4.178e-02    +0.473  yes       3 insert(QD(2,8->4,11)@9)
       43 08:48:37  delete  11   -1323.705422  +0.014668   -1323.720089  4.021e-02    -0.436   no       5 delete(3)
       44 08:48:37  insert  13   -1323.721198  -0.001109   -1323.721198  3.870e-02    +3.139  yes       3 insert(QD(3,9->5,10)@4)
       45 08:48:37  delete  12   -1323.705217  +0.015982   -1323.721198  3.725e-02    -0.490   no       5 delete(7)
       46 08:48:37  insert  14   -1323.728713  -0.007515   -1323.728713  3.586e-02    +1.041  yes       4 insert(QD(3,9->4,10)@6)
       47 08:48:38  insert  15   -1323.731278  -0.002566   -1323.731278  3.451e-02    +0.375  yes       7 insert(QD(2,8->5,11)@9)
       48 08:48:38  insert  16   -1323.736118  -0.004839   -1323.736118  3.322e-02    +1.245  yes       5 insert(QS(8->10)@2)
       49 08:48:38  insert  17   -1323.739909  -0.003792   -1323.739909  3.197e-02    +1.567  yes       7 insert(QS(2->4)@1)
       50 08:48:39  insert  18   -1323.741048  -0.001138   -1323.741048  3.078e-02    +1.061  yes       3 insert(QD(3,9->4,11)@13)
       51 08:48:39  delete  17   -1323.739584  +0.001464   -1323.739584  2.962e-02    -0.474  yes       2 delete(4)
       52 08:48:39  delete  16   -1323.738083  +0.001500   -1323.739584  2.851e-02    -0.801   no       2 delete(2)
       53 08:48:39  insert  18   -1323.741048  -0.001464   -1323.741048  2.744e-02    +0.478  yes       5 insert(QD(0,6->5,10)@2)
       54 08:48:40  delete  17   -1323.737209  +0.003838   -1323.737209  2.642e-02    -1.364  yes       5 delete(4)
       55 08:48:40  delete  16   -1323.729228  +0.007982   -1323.729228  2.543e-02    -0.509  yes       5 delete(7)
       56 08:48:40  insert  17   -1323.729228  +0.000000   -1323.729228  2.447e-02    +5.195  yes       1 insert(QS(6->10)@9)
       57 08:48:41  insert  18   -1323.729700  -0.000472   -1323.729700  2.356e-02    +3.025  yes       7 insert(QD(0,9->5,11)@17)
       58 08:48:41  delete  17   -1323.728599  +0.001101   -1323.729700  2.267e-02    -2.714   no       2 delete(12)
       59 08:48:41  insert  19   -1323.737683  -0.007983   -1323.737683  2.182e-02    +0.536  yes       6 insert(QD(3,9->4,10)@18)
       60 08:48:41 replace  19   -1323.737798  -0.000114   -1323.737798  2.101e-02    +0.430  yes       3 replace(17->QD(3,6->4,11))
       61 08:48:42 replace  19   -1323.736707  +0.001091   -1323.736707  2.022e-02    +4.921  yes       2 replace(5->QD(6,7->10,11))
       62 08:48:42  delete  18   -1323.736707  +0.000000   -1323.736707  1.946e-02    -6.185   no       1 delete(9)
       63 08:48:42  delete  18   -1323.724759  +0.011947   -1323.724759  1.873e-02    -0.692  yes       4 delete(14)
       64 08:48:43  insert  19   -1323.736707  -0.011947   -1323.736707  1.803e-02    +0.716  yes       5 insert(QD(2,8->4,11)@18)
       65 08:48:43  delete  18   -1323.734109  +0.002598   -1323.734109  1.735e-02    -0.360  yes       2 delete(10)
       66 08:48:43    swap  18   -1323.734109  +0.000000   -1323.734109  1.670e-02    +0.000  yes       1 swap(6,9)
       67 08:48:43  insert  19   -1323.736706  -0.002598   -1323.736706  1.608e-02    +0.371  yes       7 insert(QD(2,8->5,11)@3)
       68 08:48:44  insert  20   -1323.737798  -0.001091   -1323.737798  1.547e-02    +1.253  yes       3 insert(QD(3,9->5,10)@17)
       69 08:48:44  insert  21   -1323.738023  -0.000225   -1323.738023  1.489e-02    +3.679  yes       2 insert(QD(0,3->4,5)@15)
       70 08:48:44 replace  21   -1323.738492  -0.000469   -1323.738023  1.434e-02    -4.359   no       7 replace(6->QD(0,9->5,11))
       71 08:48:45  insert  22   -1323.741854  -0.003831   -1323.741854  1.380e-02    +1.421  yes       6 insert(QS(8->10)@4)
       72 08:48:45  insert  23   -1323.743204  -0.001350   -1323.743204  1.328e-02    +1.227  yes       4 insert(QD(3,6->4,10)@9)
       73 08:48:46  insert  24   -1323.743673  -0.000469   -1323.743673  1.278e-02    +1.178  yes       7 insert(QD(0,9->5,11)@22)
       74 08:48:46  delete  23   -1323.734897  +0.008776   -1323.734897  1.231e-02    -0.784  yes       5 delete(21)
       75 08:48:46  delete  22   -1323.734023  +0.000874   -1323.734897  1.184e-02    -3.339   no       2 delete(9)
       76 08:48:47  delete  22   -1323.734897  +0.000000   -1323.734897  1.140e-02    -5.071   no       1 delete(7)
       77 08:48:47  insert  24   -1323.743673  -0.008776   -1323.743673  1.097e-02    +0.870  yes       6 insert(QD(3,9->4,10)@21)
       78 08:48:48  insert  25   -1323.744990  -0.001317   -1323.744990  1.056e-02    +0.830  yes       4 insert(QD(0,9->4,10)@12)
       79 08:48:48  insert  26   -1323.745453  -0.000464   -1323.745453  1.017e-02    +0.570  yes       5 insert(QD(3,6->5,11)@9)
       80 08:48:48    swap  26   -1323.745455  -0.000001   -1323.745455  9.785e-03    +0.000  yes       1 swap(16,17)
       81 08:48:49  insert  27   -1323.745455  +0.000000   -1323.745455  9.419e-03    +5.446  yes       1 insert(QS(6->11)@26)
       82 08:48:49  insert  28   -1323.746048  -0.000594   -1323.746048  9.066e-03    +0.511  yes       3 insert(QD(0,9->5,10)@23)
       83 08:48:50  insert  29   -1323.746048  +0.000000   -1323.746048  8.726e-03    +5.087  yes       1 insert(QD(0,8->5,10)@3)
       84 08:48:50  delete  28   -1323.736826  +0.009223   -1323.746048  8.399e-03    -1.096   no       5 delete(25)
       85 08:48:51    swap  29   -1323.746048  +0.000000   -1323.746048  8.084e-03    -0.000  yes       1 swap(13,28)
       86 08:48:51  delete  28   -1323.742191  +0.003858   -1323.746048  7.781e-03    -0.697   no       5 delete(1)
       87 08:48:52  insert  30   -1323.746427  -0.000379   -1323.746427  7.490e-03    +0.136  yes       6 insert(QD(3,9->5,11)@29)
       88 08:48:52  insert  31   -1323.746427  +0.000000   -1323.746427  7.209e-03    +5.103  yes       1 insert(QS(2->4)@24)
       89 08:48:53  delete  30   -1323.720381  +0.026046   -1323.746427  6.939e-03    -3.712   no       5 delete(15)
       90 08:48:53    swap  31   -1323.746427  +0.000000   -1323.746427  6.679e-03    -0.000  yes       1 swap(9,12)
       91 08:48:54  insert  32   -1323.746642  -0.000215   -1323.746642  6.428e-03    +0.142  yes       2 insert(QD(6,9->10,11)@31)
       92 08:48:54  insert  33   -1323.746724  -0.000081   -1323.746724  6.187e-03    +0.454  yes       3 insert(QD(0,9->4,11)@30)
       93 08:48:55  insert  34   -1323.746724  +0.000000   -1323.746724  5.956e-03    +4.959  yes       1 insert(QD(0,7->5,11)@11)
       94 08:48:55 replace  34   -1323.746586  +0.000138   -1323.746724  5.732e-03    -0.020   no       3 replace(33->QD(3,6->5,10))
       95 08:48:56  delete  33   -1323.734809  +0.011915   -1323.746724  5.518e-03    -2.112   no       4 delete(29)
       96 08:48:57  insert  35   -1323.746805  -0.000082   -1323.746805  5.311e-03    -0.028  yes       3 insert(QD(3,6->5,10)@16)
       97 08:48:57  delete  34   -1323.745511  +0.001295   -1323.745511  5.112e-03    -0.203  yes       3 delete(12)
       98 08:48:58  insert  35   -1323.746805  -0.001295   -1323.746805  4.920e-03    +0.213  yes       4 insert(QD(3,6->4,10)@8)
       99 08:48:58  delete  34   -1323.744222  +0.002584   -1323.744222  4.736e-03    -0.492  yes       3 delete(4)
      100 08:48:59  insert  35   -1323.744222  +0.000000   -1323.744222  4.558e-03    +4.946  yes       1 insert(QD(1,8->4,10)@25)
      101 08:49:00  delete  34   -1323.533480  +0.210742   -1323.744222  4.388e-03   -47.985   no       7 delete(18)
      102 08:49:00  insert  36   -1323.744222  +0.000000   -1323.744222  4.223e-03    +4.944  yes       1 insert(QD(1,7->5,10)@2)
      103 08:49:01  delete  35   -1323.744222  +0.000000   -1323.744222  4.065e-03    -4.942   no       8 delete(1)
      104 08:49:02 replace  36   -1323.732167  +0.012055   -1323.744222  3.913e-03    -3.081   no       9 replace(7->QD(2,8->5,11))
      105 08:49:02  insert  37   -1323.744222  +0.000000   -1323.744222  3.766e-03    +4.940  yes       1 insert(QD(0,6->4,11)@7)
      106 08:49:04 replace  37   -1323.746805  -0.002584   -1323.744222  3.625e-03    -4.758   no       9 replace(11->QD(2,8->5,11))
      107 08:49:04  delete  36   -1323.744222  +0.000000   -1323.744222  3.489e-03    -4.939   no       1 delete(14)
      108 08:49:05  insert  38   -1323.746805  -0.002584   -1323.746805  3.358e-03    +0.708  yes       6 insert(QD(2,8->5,11)@6)
      109 08:49:06 replace  38   -1323.734892  +0.011914   -1323.734892  3.232e-03    +1.804  yes       5 replace(33->QS(3->5))
      110 08:49:06  delete  37   -1323.725787  +0.009105   -1323.734892  3.111e-03    -4.934   no       5 delete(31)
      111 08:49:07  insert  39   -1323.734892  +0.000000   -1323.734892  2.995e-03    +4.934  yes       1 insert(QD(3,9->4,10)@15)
      112 08:49:08    swap  39   -1323.734892  +0.000000   -1323.734892  2.882e-03    +0.000  yes       1 swap(9,28)
      113 08:49:08  delete  38   -1323.718994  +0.015898   -1323.734892  2.774e-03    -5.753   no       6 delete(35)
      114 08:49:09  delete  38   -1323.734892  +0.000000   -1323.734892  2.670e-03    -4.930   no       3 delete(30)
      115 08:49:10  insert  40   -1323.746805  -0.011913   -1323.746805  2.570e-03    +4.564  yes       6 insert(QD(2,8->4,11)@21)
      116 08:49:12  delete  39   -1323.746523  +0.000282   -1323.746805  2.474e-03    -4.189   no      19 delete(5)
      117 08:49:12  insert  41   -1323.746807  -0.000002   -1323.746807  2.381e-03    +0.421  yes       2 insert(QS(8->11)@3)
      118 08:49:13  insert  42   -1323.746810  -0.000002   -1323.746810  2.292e-03    -0.062  yes       2 insert(QS(2->5)@14)
      119 08:49:14  insert  43   -1323.746810  +0.000000   -1323.746810  2.206e-03    +0.220  yes       1 insert(QD(2,8->5,10)@12)
      120 08:49:14    swap  43   -1323.746810  +0.000000   -1323.746810  2.123e-03    -0.000  yes       1 swap(14,34)
      121 08:49:15  insert  44   -1323.746810  +0.000000   -1323.746810  2.044e-03    +5.113  yes       1 insert(QD(7,9->10,11)@16)
      122 08:49:16  insert  45   -1323.746810  +0.000000   -1323.746810  1.967e-03    +5.111  yes       1 insert(QD(2,7->5,11)@14)
      123 08:49:16    swap  45   -1323.746810  +0.000000   -1323.746810  1.894e-03    +0.000  yes       1 swap(2,9)
      124 08:49:17 replace  45   -1323.746810  +0.000000   -1323.746810  1.823e-03    +0.002  yes       1 replace(9->QS(8->10))
      125 08:49:18  insert  46   -1323.746810  +0.000000   -1323.746810  1.754e-03    +0.440  yes       1 insert(QD(1,7->5,10)@16)
      126 08:49:18  insert  47   -1323.746810  +0.000000   -1323.746810  1.689e-03    +0.566  yes       1 insert(QS(8->10)@8)
      127 08:49:19    swap  47   -1323.746810  +0.000000   -1323.746810  1.625e-03    -0.000  yes       1 swap(11,31)
      128 08:49:20  insert  48   -1323.746810  +0.000000   -1323.746810  1.564e-03    +0.880  yes       1 insert(QD(3,9->4,11)@27)
      129 08:49:21  insert  49   -1323.746810  +0.000000   -1323.746810  1.506e-03    +5.001  yes       1 insert(QD(2,8->4,11)@37)
      130 08:49:21  insert  50   -1323.746810  +0.000000   -1323.746810  1.449e-03    +5.854  yes       1 insert(QD(2,7->5,11)@19)
      131 08:49:22  delete  49   -1323.746809  +0.000000   -1323.746810  1.395e-03    -4.121   no       6 delete(41)
      132 08:49:23  delete  49   -1323.746810  +0.000000   -1323.746810  1.343e-03    -5.972   no       1 delete(45)
      133 08:49:25 replace  50   -1323.746810  +0.000000   -1323.746810  1.292e-03    -4.744   no      11 replace(1->QD(1,7->5,10))
      134 08:49:26  delete  49   -1323.746810  +0.000000   -1323.746810  1.244e-03    -5.363   no       1 delete(16)
      135 08:49:26    swap  50   -1323.746810  +0.000000   -1323.746810  1.197e-03    -0.000  yes       1 swap(24,33)
      136 08:49:27 replace  50   -1323.746310  +0.000500   -1323.746310  1.152e-03    +5.052  yes       2 replace(21->QS(6->11))
      137 08:49:28  delete  49   -1323.746310  +0.000000   -1323.746310  1.109e-03    -5.570   no       1 delete(19)
      138 08:49:29  delete  49   -1323.745033  +0.001277   -1323.746310  1.068e-03    -1.996   no       3 delete(24)
      139 08:49:30 replace  50   -1323.744920  +0.001390   -1323.746310  1.028e-03    -1.352   no       6 replace(0->QD(3,6->5,11))
      140 08:49:31  delete  49   -1323.746310  +0.000000   -1323.746310  9.892e-04    -5.559   no       1 delete(28)
      141 08:49:31    swap  50   -1323.746310  +0.000000   -1323.746310  9.521e-04    +0.000  yes       1 swap(9,11)
      142 08:49:32 replace  50   -1323.746310  +0.000000   -1323.746310  9.165e-04    -0.000  yes       1 replace(36->QD(0,6->4,10))
      143 08:49:33  delete  49   -1323.746308  +0.000002   -1323.746310  8.821e-04    -5.330   no       1 delete(3)
      144 08:49:34 replace  50   -1323.744920  +0.001390   -1323.746310  8.490e-04    -1.637   no       6 replace(0->QD(3,6->5,11))
      145 08:49:35 replace  50   -1323.746809  -0.000500   -1323.746310  8.172e-04    -5.066   no       6 replace(15->QD(3,6->5,11))
      146 08:49:36  delete  49   -1323.745764  +0.000546   -1323.746310  7.866e-04    -2.187   no       2 delete(37)
      147 08:49:37 replace  50   -1323.746310  +0.000000   -1323.746310  7.571e-04    +0.000  yes       1 replace(14->QD(1,9->5,11))
      148 08:49:38 replace  50   -1323.746310  +0.000000   -1323.746310  7.288e-04    +0.002  yes       1 replace(17->QD(0,6->5,10))
      149 08:49:39 replace  50   -1323.746426  -0.000116   -1323.746426  7.014e-04    +0.164  yes       6 replace(48->QD(3,6->5,11))
      150 08:49:39    swap  50   -1323.746426  +0.000000   -1323.746426  6.752e-04    +0.000  yes       1 swap(45,47)
      151 08:49:40  delete  49   -1323.746426  +0.000000   -1323.746426  6.499e-04    -5.504   no       1 delete(36)
      152 08:49:41  delete  49   -1323.746426  +0.000000   -1323.746426  6.255e-04    -5.501   no       1 delete(40)
      153 08:49:42  delete  49   -1323.730542  +0.015884   -1323.746426  6.021e-04   -26.882   no       6 delete(46)
      154 08:49:43  delete  49   -1323.746426  +0.000001   -1323.746426  5.795e-04    -5.423  yes       6 delete(11)
      155 08:49:44  insert  50   -1323.746809  -0.000384   -1323.746809  5.578e-04    +1.172  yes       6 insert(QD(3,9->5,11)@34)
      156 08:49:46  delete  49   -1323.746810  +0.000000   -1323.746809  5.369e-04    -5.300   no       9 delete(33)
      157 08:49:47    swap  50   -1323.746810  +0.000000   -1323.746810  5.168e-04    +0.000  yes       1 swap(32,34)
      158 08:49:47    swap  50   -1323.746810  +0.000000   -1323.746810  4.974e-04    -0.000  yes       1 swap(31,46)
      159 08:49:48  delete  49   -1323.746810  +0.000000   -1323.746810  4.788e-04    -4.830   no       1 delete(12)
      160 08:49:49  delete  49   -1323.746590  +0.000220   -1323.746590  4.608e-04    -0.921  yes       1 delete(49)
      161 08:49:49    swap  49   -1323.746590  +0.000000   -1323.746590  4.435e-04    +0.000  yes       1 swap(13,38)
      162 08:49:50  insert  50   -1323.746590  +0.000000   -1323.746590  4.269e-04    +5.416  yes       1 insert(QD(0,9->4,10)@32)
      163 08:49:51  delete  49   -1323.746590  +0.000000   -1323.746590  4.109e-04    -5.418   no       1 delete(41)
      164 08:49:52 replace  50   -1323.746309  +0.000281   -1323.746590  3.955e-04    -0.710   no       3 replace(49->QD(6,9->10,11))
      165 08:49:52  delete  49   -1323.746590  +0.000000   -1323.746590  3.807e-04    -5.398   no       1 delete(41)
      166 08:49:53  delete  49   -1323.746590  +0.000000   -1323.746590  3.664e-04    -5.372   no       1 delete(22)
      167 08:49:54    swap  50   -1323.746590  +0.000000   -1323.746590  3.527e-04    -0.000  yes       1 swap(31,45)
      168 08:49:54  delete  49   -1323.746012  +0.000578   -1323.746590  3.395e-04    -2.157   no       2 delete(38)
      169 08:49:55  delete  49   -1323.746590  +0.000000   -1323.746590  3.268e-04    -5.355   no       1 delete(14)
      170 08:49:56 replace  50   -1323.746810  -0.000220   -1323.746590  3.145e-04    -3.529   no       2 replace(10->QD(6,9->10,11))
      171 08:49:56  delete  49   -1323.746590  +0.000000   -1323.746590  3.027e-04    -5.330   no       1 delete(20)
      172 08:49:57    swap  50   -1323.746590  +0.000000   -1323.746590  2.914e-04    -0.000  yes       1 swap(22,30)
      173 08:49:58  delete  49   -1323.746590  +0.000000   -1323.746590  2.805e-04    -5.304   no       1 delete(24)
      174 08:49:59 replace  50   -1323.746810  -0.000220   -1323.746590  2.700e-04    -4.327   no       2 replace(41->QD(6,9->10,11))
      175 08:50:00  delete  49   -1323.730706  +0.015884   -1323.746590  2.598e-04   -61.408   no       6 delete(45)
      176 08:50:01    swap  50   -1323.746590  +0.000000   -1323.746590  2.501e-04    +0.000  yes       1 swap(11,15)
      177 08:50:01    swap  50   -1323.746590  +0.000000   -1323.746590  2.407e-04    -0.000  yes       1 swap(42,44)
      178 08:50:02    swap  50   -1323.746590  +0.000000   -1323.746590  2.317e-04    +0.000  yes       1 swap(26,33)
      179 08:50:03 replace  50   -1323.746590  +0.000000   -1323.746590  2.230e-04    +0.013  yes       1 replace(8->QD(1,6->5,11))
      180 08:50:04  delete  49   -1323.746590  +0.000000   -1323.746590  2.147e-04    -5.193   no      10 delete(1)
      181 08:50:05  delete  49   -1323.746370  +0.000220   -1323.746590  2.066e-04    -1.720   no       1 delete(36)
      182 08:50:06 replace  50   -1323.746810  -0.000220   -1323.746590  1.989e-04    -4.004   no       2 replace(21->QD(6,9->10,11))
      183 08:50:07  delete  49   -1323.746590  +0.000000   -1323.746590  1.914e-04    -5.134   no       6 delete(4)
      184 08:50:08  delete  49   -1323.746590  +0.000000   -1323.746590  1.843e-04    -5.118   no       1 delete(20)
      185 08:50:09  delete  49   -1323.746590  +0.000000   -1323.746590  1.773e-04    -5.093   no       6 delete(42)
      186 08:50:10    swap  50   -1323.746590  +0.000000   -1323.746590  1.707e-04    +0.001  yes       2 swap(1,40)
      187 08:50:10  delete  49   -1323.746590  +0.000000   -1323.746590  1.643e-04    -5.037   no       1 delete(30)
      188 08:50:11  delete  49   -1323.745310  +0.001280   -1323.746590  1.581e-04    -8.159   no       3 delete(23)
      189 08:50:12  delete  49   -1323.746590  +0.000000   -1323.746590  1.522e-04    -5.003   no       4 delete(25)
      190 08:50:13 replace  50   -1323.746810  -0.000220   -1323.746590  1.465e-04    -3.573   no       2 replace(41->QD(6,9->10,11))
      191 08:50:14 replace  50   -1323.746810  -0.000220   -1323.746590  1.410e-04    -3.506   no       2 replace(20->QD(6,9->10,11))
      192 08:50:15 replace  50   -1323.746810  -0.000220   -1323.746590  1.357e-04    -3.459   no       2 replace(19->QD(6,9->10,11))
      193 08:50:16  delete  49   -1323.536789  +0.209801   -1323.746590  1.307e-04 -1605.698   no       8 delete(47)
      194 08:50:17  delete  49   -1323.746092  +0.000498   -1323.746590  1.258e-04    -3.878   no       2 delete(31)
      195 08:50:18 replace  50   -1323.745357  +0.001233   -1323.746590  1.210e-04   -10.184   no       3 replace(2->QD(6,9->10,11))
      196 08:50:19  delete  49   -1323.746590  +0.000000   -1323.746590  1.165e-04    -4.803   no      10 delete(6)
      197 08:50:20  delete  49   -1323.746590  +0.000000   -1323.746590  1.121e-04    -4.754   no       1 delete(30)
      198 08:50:20    swap  50   -1323.746590  +0.000000   -1323.746590  1.079e-04    +0.000  yes       1 swap(5,31)
      199 08:50:21  delete  49   -1323.746590  +0.000000   -1323.746590  1.039e-04    -4.696   no       1 delete(12)
      200 08:50:22    swap  50   -1323.746590  +0.000000   -1323.746590  1.000e-04    -0.000  yes       1 swap(2,12)
========================================================================
[VARIATIONAL QUANTUM SUMMARY]
    optimal_energy_eV: -1323.7466422333
    reference_energy_eV: -1323.3908771501
    correlation_energy_eV: -0.3557650832
    num_operators: 32
    num_parameters: 32
    cost_evaluations: 20416
    optimizer_steps: 658
    cnot_count: 1310
    circuit_depth: 1655
    one_qubit_gates: 955
    total_gates: 2265
    optimal_cost_eV: -1323.7434422333
    best_energy_eV: -1323.7468096850
    final_energy_eV: -1323.7465899991
    final_num_operators: 50
    chain_steps: 200
    acceptance_rate: 0.6200
    accepted_insert: 66 of 66
    accepted_delete: 16 of 76
    accepted_replace: 13 of 29
    accepted_swap: 29 of 29
    architectures_evaluated: 195
    gradient_screenings: 201
    optimizer_failures: 0
    operators: QD(1,7->4,11), QS(2->4), QD(0,6->5,10), QD(0,8->5,10), QD(2,8->5,11), QS(8->10), QD(0,6->4,11), QD(0,6->5,11), QD(6,7->10,11), QD(1,7->5,10), QD(3,6->5,11), QD(3,6->4,10), QS(6->10), QS(6->11), QD(0,9->4,10), QD(1,7->4,10), QD(2,8->5,10), QD(2,8->4,10), QD(3,9->4,11), QD(0,6->4,10), QD(0,3->4,5), QD(2,6->4,10), QD(3,6->4,11), QD(3,9->5,10), QS(2->4), QD(0,9->5,10), QD(3,9->4,10), QD(0,9->5,11), QD(2,8->4,11), QD(1,7->5,11), QD(3,9->5,11), QD(6,9->10,11)
========================================================================

[PERFORMANCE]
    step: 1
    stages (wall-clock seconds):
        parameter optimization                    109.6065
        circuit profiling                           0.8207
        integration: one-body integrals             0.0037
        integration: two-body integrals (fft)       0.2646
        --------------------------------------------------
        sum of timed stages                       110.6955
    untimed_s: 3.7408
    wall_time_s: 114.4363
    solver_wall_time_s: 114.4352
    integration_backend: C (OpenMP)
    openmp_threads: 8
    cpu_count: 8
    mpi: not used (single process, shared-memory OpenMP)
    peak_memory_MiB: 340.7
    resident_memory_MiB: 230.1
========================================================================
