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Search.setIndex({"docnames": ["about", "contact", "examples", "examples/airss/airss", "examples/aluminum", "examples/gibbs", "examples/h-and-h2", "examples/magnesium", "index", "install", "user-guide", "user-guide/build", "user-guide/generated/profess.System.add_coulomb_ions", "user-guide/generated/profess.System.add_electrons", "user-guide/generated/profess.System.add_generic_nonlocal_a_functional", "user-guide/generated/profess.System.add_hartree_functional", "user-guide/generated/profess.System.add_huang_carter_functional", "user-guide/generated/profess.System.add_ion_electron_functional", "user-guide/generated/profess.System.add_ion_ion_interaction", "user-guide/generated/profess.System.add_ions", "user-guide/generated/profess.System.add_libxc_functional", "user-guide/generated/profess.System.add_luo_karasiev_trickey_functional", "user-guide/generated/profess.System.add_perdew_burke_ernzerhof_functional", "user-guide/generated/profess.System.add_perdew_zunger_functional", "user-guide/generated/profess.System.add_perrot_functional", "user-guide/generated/profess.System.add_smargiassi_madden_functional", "user-guide/generated/profess.System.add_thomas_fermi_functional", "user-guide/generated/profess.System.add_wang_govind_carter_1999_i_functional", "user-guide/generated/profess.System.add_wang_govind_carter_functional", "user-guide/generated/profess.System.add_wang_teter_functional", "user-guide/generated/profess.System.add_weizsaecker_functional", "user-guide/generated/profess.System.box_vectors", "user-guide/generated/profess.System.create", "user-guide/generated/profess.System.create_from_grid_shape", "user-guide/generated/profess.System.electron_density", "user-guide/generated/profess.System.energy", "user-guide/generated/profess.System.energy_cutoff", "user-guide/generated/profess.System.enthalpy", "user-guide/generated/profess.System.forces", "user-guide/generated/profess.System.grid_shape", "user-guide/generated/profess.System.ions_xyz_coords", "user-guide/generated/profess.System.minimize_energy", "user-guide/generated/profess.System.minimize_energy_tpsd", "user-guide/generated/profess.System.move_ions", "user-guide/generated/profess.System.pressure", "user-guide/generated/profess.System.remove_functional", "user-guide/generated/profess.System.set_box", "user-guide/generated/profess.System.stress", "user-guide/generated/profess.System.volume", "user-guide/inspect", "user-guide/modify"], "filenames": ["about.rst", "contact.rst", "examples.rst", "examples/airss/airss.md", "examples/aluminum.md", "examples/gibbs.md", "examples/h-and-h2.md", "examples/magnesium.md", "index.rst", "install.rst", "user-guide.md", "user-guide/build.rst", "user-guide/generated/profess.System.add_coulomb_ions.rst", "user-guide/generated/profess.System.add_electrons.rst", "user-guide/generated/profess.System.add_generic_nonlocal_a_functional.rst", "user-guide/generated/profess.System.add_hartree_functional.rst", "user-guide/generated/profess.System.add_huang_carter_functional.rst", "user-guide/generated/profess.System.add_ion_electron_functional.rst", "user-guide/generated/profess.System.add_ion_ion_interaction.rst", "user-guide/generated/profess.System.add_ions.rst", "user-guide/generated/profess.System.add_libxc_functional.rst", "user-guide/generated/profess.System.add_luo_karasiev_trickey_functional.rst", "user-guide/generated/profess.System.add_perdew_burke_ernzerhof_functional.rst", "user-guide/generated/profess.System.add_perdew_zunger_functional.rst", "user-guide/generated/profess.System.add_perrot_functional.rst", "user-guide/generated/profess.System.add_smargiassi_madden_functional.rst", "user-guide/generated/profess.System.add_thomas_fermi_functional.rst", "user-guide/generated/profess.System.add_wang_govind_carter_1999_i_functional.rst", "user-guide/generated/profess.System.add_wang_govind_carter_functional.rst", "user-guide/generated/profess.System.add_wang_teter_functional.rst", "user-guide/generated/profess.System.add_weizsaecker_functional.rst", "user-guide/generated/profess.System.box_vectors.rst", "user-guide/generated/profess.System.create.rst", "user-guide/generated/profess.System.create_from_grid_shape.rst", "user-guide/generated/profess.System.electron_density.rst", "user-guide/generated/profess.System.energy.rst", "user-guide/generated/profess.System.energy_cutoff.rst", "user-guide/generated/profess.System.enthalpy.rst", "user-guide/generated/profess.System.forces.rst", "user-guide/generated/profess.System.grid_shape.rst", "user-guide/generated/profess.System.ions_xyz_coords.rst", "user-guide/generated/profess.System.minimize_energy.rst", "user-guide/generated/profess.System.minimize_energy_tpsd.rst", "user-guide/generated/profess.System.move_ions.rst", "user-guide/generated/profess.System.pressure.rst", "user-guide/generated/profess.System.remove_functional.rst", "user-guide/generated/profess.System.set_box.rst", "user-guide/generated/profess.System.stress.rst", "user-guide/generated/profess.System.volume.rst", "user-guide/inspect.rst", "user-guide/modify.rst"], "titles": ["About", "Contact", "Examples", "Ab initio random structure searching", "Aluminum", "Gibbs free energy", "H and H2", "Magnesium", "Welcome", "Install", "User Guide", "Build a system", "profess.System.add_coulomb_ions", "profess.System.add_electrons", "profess.System.add_generic_nonlocal_a_functional", "profess.System.add_hartree_functional", "profess.System.add_huang_carter_functional", "profess.System.add_ion_electron_functional", "profess.System.add_ion_ion_interaction", "profess.System.add_ions", "profess.System.add_libxc_functional", "profess.System.add_luo_karasiev_trickey_functional", "profess.System.add_perdew_burke_ernzerhof_functional", "profess.System.add_perdew_zunger_functional", "profess.System.add_perrot_functional", "profess.System.add_smargiassi_madden_functional", "profess.System.add_thomas_fermi_functional", 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