data_structures.rst

Data Structures in GMSO

Following data structures are available within GMSO.

Core Classes

gmso.Topology gmso.SubTopology gmso.Atom gmso.Bond gmso.Angle gmso.Dihedral gmso.Improper gmso.AtomType gmso.BondType gmso.AngleType gmso.DihedralType gmso.ImproperType

Topology

gmso.Topology

SubTopology

gmso.SubTopology

Atom

gmso.Atom

Bond

gmso.Bond

Angle

gmso.Angle

Dihedral

gmso.Dihedral

Improper

gmso.Improper

Potential Classes

AtomType

gmso.AtomType

BondType

gmso.BondType

AngleType

gmso.AngleType

DihedralType

gmso.DihedralType

ImproperType

gmso.ImproperType

PairPotentialType ************ .. autoclass:: gmso.PairPotentialType :members:

ForceField

gmso.ForceField

---