xnn.ffnn.models#

Modules

dreiding

DREIDING: the rule-generated generic force field.

dreidinglib

DREIDING parameter library and generation rules.

ffield

ReaxFF parameter libraries: the SEAMM .frc format and ReaxFF-nn JSON.

geometry

Shared bonded-term geometry for fixed-topology force fields.

opls

OPLS: the all-atom (and united-atom) fixed-topology force field.

oplslib

OPLS parameter libraries: the SEAMM .frc format and native JSON.

reaxff

ReaxFF: the reactive force field, classical and machine-learned (ReaxFF-nn).

topology

Fixed molecular topology for valence force fields (OPLS and friends).