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xyz file in geometry
Signed-off-by: marwafar <[email protected]>
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docs/sphinx/examples_rst/solvers/molecular_hamiltonians.rst

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@@ -27,7 +27,7 @@ Here, we create "default" Hamiltonian for the N2 system using complete active sp
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verbose=True)
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We specify:
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- The geometry previously created
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- The geometry previously created. User can also provide geometry through the path to the XYZ file. For example, `geometry='path/to/xyz/file.xyz'`.
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- The basis set (here STO-3G)
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- The total spin (2 * S)
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- The total charge

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