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update docs
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docs/source/tutorial/hubbard.ipynb

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"source": [
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"### Initialization\n",
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"\n",
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"The SZ mode should be the most convenient for the Hubbard model. We first set a driver using this mode. ``scratch`` sets a folder for writing temparary scratch files. ``symm_type`` sets the symmetry mode (and whether the complex number should be used. Here we allow only real numbers). ``n_threads`` sets the number of threads for shared-memory parallelization.\n",
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"The SZ mode should be the most convenient for the Hubbard model. We first set a driver using this mode. ``scratch`` sets a folder for writing temporary scratch files. When running multiple independent DMRG jobs simultaneously, each job should have a distinct scratch folder name to avoid file I/O conflicts. ``symm_type`` sets the symmetry mode (and whether the complex number should be used. Here we allow only real numbers). ``n_threads`` sets the number of threads for shared-memory parallelization.\n",
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"\n",
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"Next, we use the ``initialize_system`` method to set the property of the target wavefunction (namely, which symmetry sector is targeted).\n",
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"\n",

docs/source/tutorial/qc-hamiltonians.ipynb

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"\n",
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"Here we use ``get_rhf_integrals`` function to get the integrals. Note that in order to do DMRG in a CASCI space, one can set the ``ncore`` (number of core orbitals) and ``ncas`` (number of active orbitals) parameters in ``get_*_integrals``. ``ncas=None`` will include all orbitals in DMRG.\n",
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"\n",
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"For medium to large scale DMRG calculations, it is highly recommended to use a scratch space with high IO speed rather than the ``./tmp`` used in the following example. One also needs to set a suitable ``stack_mem`` in the ``DMRGDriver`` constructor to set the memory used for storing renormalized operators (in bytes). The default is ``stack_mem=int(1024**3)`` (1 GB). For medium scale calculations 10 to 30 GB might be required.\n",
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"For medium to large scale DMRG calculations, it is highly recommended to use a scratch space with high IO speed rather than the ``./tmp`` used in the following example. When running multiple independent DMRG jobs simultaneously, each job should have a distinct scratch folder name to avoid file I/O conflicts. One also needs to set a suitable ``stack_mem`` in the ``DMRGDriver`` constructor to set the memory used for storing renormalized operators (in bytes). The default is ``stack_mem=int(1024**3)`` (1 GB). For medium scale calculations 10 to 30 GB might be required.\n",
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"\n",
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"For the meaning of DMRG parameters, please have a look at the [Hubbard - Run DMRG](https://block2.readthedocs.io/en/latest/tutorial/hubbard.html#Run-DMRG) page."
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]

src/dmrg/mps.hpp

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right_probs[i]->probs[j] *= x;
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}
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}
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// adjusted temparary fci dims
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// adjusted temporary fci dims
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vector<shared_ptr<StateInfo<S>>> left_dims_fci_t(n_sites + 1);
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vector<shared_ptr<StateInfo<S>>> right_dims_fci_t(n_sites + 1);
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for (int i = 0; i < n_sites + 1; i++) {

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