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Search.setIndex({"alltitles": {"About cclib": [[13, "about-cclib"]], "Accessing additional methods through bridge": [[14, "accessing-additional-methods-through-bridge"]], "Adding a new attribute": [[10, "adding-a-new-attribute"]], "Adding a new program version": [[10, "adding-a-new-program-version"]], "Adding a new regression test": [[10, "adding-a-new-regression-test"]], "Adding a new unit test": [[10, "adding-a-new-unit-test"]], "Bader\u2019s QTAIM": [[14, "bader-s-qtaim"]], "Basic instructions": [[10, "basic-instructions"]], "Becke Population Analysis": [[2, "becke-population-analysis"]], "Bickelhaupt Population Analysis": [[14, "bickelhaupt-population-analysis"]], "Bridges to other packages": [[2, "bridges-to-other-packages"]], "C squared population analysis (CSPA)": [[14, "c-squared-population-analysis-cspa"]], "Calculation methods": [[14, "calculation-methods"]], "Chaining of attributes": [[12, "chaining-of-attributes"]], "Changelog": [[3, "changelog"]], "Changes in cclib-0.5": [[3, "changes-in-cclib-0-5"]], "Changes in cclib-0.6.0": [[3, "changes-in-cclib-0-6-0"]], "Changes in cclib-0.6.1": [[3, "changes-in-cclib-0-6-1"]], "Changes in cclib-0.6b": [[3, "changes-in-cclib-0-6b"]], "Changes in cclib-0.7": [[3, "changes-in-cclib-0-7"]], "Changes in cclib-0.8": [[3, "changes-in-cclib-0-8"]], "Changes in cclib-0.9": [[3, "changes-in-cclib-0-9"]], "Changes in cclib-1.0": [[3, "changes-in-cclib-1-0"]], "Changes in cclib-1.0.1": [[3, "changes-in-cclib-1-0-1"]], "Changes in cclib-1.1": [[3, "changes-in-cclib-1-1"]], "Changes in cclib-1.2": [[3, "changes-in-cclib-1-2"]], "Changes in cclib-1.3": [[3, "changes-in-cclib-1-3"]], "Changes in cclib-1.3.1": [[3, "changes-in-cclib-1-3-1"]], "Changes in cclib-1.3.2": [[3, "changes-in-cclib-1-3-2"]], "Changes in cclib-1.4": [[3, "changes-in-cclib-1-4"]], "Changes in cclib-1.4.1": [[3, "changes-in-cclib-1-4-1"]], "Changes in cclib-1.5": [[3, "changes-in-cclib-1-5"]], "Changes in cclib-1.5.1": [[3, "changes-in-cclib-1-5-1"]], "Changes in cclib-1.5.2": [[3, "changes-in-cclib-1-5-2"]], "Changes in cclib-1.5.3": [[3, "changes-in-cclib-1-5-3"]], "Changes in cclib-1.6": [[3, "changes-in-cclib-1-6"]], "Changes in cclib-1.6.1": [[3, "changes-in-cclib-1-6-1"]], "Changes in cclib-1.6.2": [[3, "changes-in-cclib-1-6-2"]], "Changes in cclib-1.6.3": [[3, "changes-in-cclib-1-6-3"]], "Changes in cclib-1.6.4": [[3, "changes-in-cclib-1-6-4"]], "Changes in cclib-1.7": [[3, "changes-in-cclib-1-7"]], "Changes in cclib-1.7.1": [[3, "changes-in-cclib-1-7-1"]], "Changes in cclib-1.7.2": [[3, "changes-in-cclib-1-7-2"]], "Changes in cclib-1.8": [[3, "changes-in-cclib-1-8"]], "Changes in cclib-1.8.1": [[3, "changes-in-cclib-1-8-1"]], "Charge Decomposition Analysis": [[14, "charge-decomposition-analysis"]], "Cloning cclib from GitHub": [[10, "cloning-cclib-from-github"]], "Code conventions": [[10, "code-conventions"]], "Custom fragments": [[14, "custom-fragments"], [14, "id1"], [14, "id3"]], "Custom progress": [[14, "custom-progress"], [14, "id2"], [14, "id4"]], "DDEC6": [[14, "ddec6"]], "Density Matrix calculation": [[14, "density-matrix-calculation"]], "Description of parsed data": [[7, "description-of-parsed-data"], [8, "description-of-parsed-data"]], "Details of current implementation": [[7, "details-of-current-implementation"], [8, "details-of-current-implementation"]], "Developers": [[10, "developers"]], "Development": [[10, "development"]], "Development parsed data": [[8, "development-parsed-data"]], "Documentation": [[10, "documentation"]], "From Python": [[12, "from-python"]], "From command line": [[12, "from-command-line"]], "Guidelines": [[10, "guidelines"]], "Hirshfeld Population Analysis": [[2, "hirshfeld-population-analysis"], [14, "hirshfeld-population-analysis"]], "How to install": [[11, "how-to-install"]], "How to parse and write": [[12, "how-to-parse-and-write"]], "How to use cclib": [[13, "how-to-use-cclib"]], "Indices and tables": [[4, "indices-and-tables"]], "Installation and 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