Force field =========== Typing engine ------------- .. currentmodule:: mstk.forcefield.typer .. autosummary:: :toctree: _generated/ Typer ZftTyper GaffTyper Force field definition ---------------------- .. currentmodule:: mstk.forcefield .. autosummary:: :toctree: _generated/ ForceField FFTermFactory FFTerm AtomType vdW terms ~~~~~~~~~ .. autosummary:: :toctree: _generated/ VdwTerm LJ126Term MieTerm Charge increment terms ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ ChargeIncrementTerm Polarization terms ~~~~~~~~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ PolarizableTerm DrudeTerm Virtual site terms ~~~~~~~~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ VirtualSiteTerm TIP4PSiteTerm Bond terms ~~~~~~~~~~ .. autosummary:: :toctree: _generated/ BondTerm HarmonicBondTerm MorseBondTerm Angle terms ~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ AngleTerm HarmonicAngleTerm SDKAngleTerm LinearAngleTerm Dihedral terms ~~~~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ DihedralTerm OplsDihedralTerm PeriodicDihedralTerm Improper terms ~~~~~~~~~~~~~~ .. autosummary:: :toctree: _generated/ ImproperTerm OplsImproperTerm HarmonicImproperTerm Force field parser ------------------ .. currentmodule:: mstk.forcefield .. autosummary:: :toctree: _generated/ Zfp Zff Ppf Padua PaduaLJScaler