polymerist.mdtools.openfftools.partialcharge ============================================ .. py:module:: polymerist.mdtools.openfftools.partialcharge .. autoapi-nested-parse:: Tools for systematizing the assignment of partial charges to OpenFF Molecules Submodules ---------- .. toctree:: :maxdepth: 1 /autoapi/polymerist/mdtools/openfftools/partialcharge/molchargers/index /autoapi/polymerist/mdtools/openfftools/partialcharge/rescharge/index Attributes ---------- .. autoapisummary:: polymerist.mdtools.openfftools.partialcharge.CHARGE_METHODS_BY_TOOLKIT polymerist.mdtools.openfftools.partialcharge.TOOLKITS_BY_CHARGE_METHOD Package Contents ---------------- .. py:data:: CHARGE_METHODS_BY_TOOLKIT :type: dict[type[openff.toolkit.utils.base_wrapper.ToolkitWrapper], list[str]] .. py:data:: TOOLKITS_BY_CHARGE_METHOD