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Fix localization example on Quickstart (#146)
* Fix localization example on Quickstart * Fix instance naming in localization Quickstart
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source/quickstart.rst

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@@ -109,11 +109,11 @@ PySCF offers a number of different standard schemes for localizing MOs, e.g., Pi
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>>> from pyscf import lo
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>>> occ_orbs = rhf_h2o.mo_coeff[:, rhf_h2o.mo_occ > 0.]
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>>> fb_h2o = lo.Boys(mol_h2o, occ_orbs, rhf_h2o) # Foster-Boys
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>>> loc_occ_orbs = fb.kernel()
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>>> fb_h2o = lo.Boys(mol_h2o, occ_orbs) # Foster-Boys
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>>> loc_occ_orbs = fb_h2o.kernel()
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>>> virt_orbs = rhf_h2o.mo_coeff[:, rhf_h2o.mo_occ == 0.]
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>>> pm_h2o = lo.PM(mol_h2o, virt_orbs, rhf_h2o) # Pipek-Mezey
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>>> loc_virt_orbs = pm.kernel()
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>>> pm_h2o = lo.PM(mol_h2o, virt_orbs) # Pipek-Mezey
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>>> loc_virt_orbs = pm_h2o.kernel()
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Knizia's intrinsic bond orbitals can be computed as (cf. `local_orb/04-ibo_benzene_cubegen.py <https://github.com/pyscf/pyscf/blob/master/examples/local_orb/04-ibo_benzene_cubegen.py>`_):
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