polymerist.mdtools.openfftools.solvation.solvents ================================================= .. py:module:: polymerist.mdtools.openfftools.solvation.solvents .. autoapi-nested-parse:: For curating pre-defined solvent molecules Attributes ---------- .. autoapisummary:: polymerist.mdtools.openfftools.solvation.solvents.water polymerist.mdtools.openfftools.solvation.solvents.offmol Functions --------- .. autoapisummary:: polymerist.mdtools.openfftools.solvation.solvents.generate_water_TIP3P Package Contents ---------------- .. py:function:: generate_water_TIP3P() -> openff.toolkit.Molecule Helper method for creating a new TIP3P water representation from scratch .. py:data:: water .. py:data:: offmol