xnn.ffnn.common

Shared infrastructure of the ffnn (classical force field) family.

• frc – the MolSSI/SEAMM .frc force-field file format: a schema-driven reader, the #define resolver that composes a named force-field variant out of labelled parameter sections, the bonded parameter lookup with equivalences and wildcards, a writer, and the registry of parameter files shipped with xnn.

• typing – atom typing from the SMARTS templates a force field carries (RDKit).

• elements – the element symbol table.

The model-specific bridges that turn a resolved force field into the parameter tables a model consumes live next to the models (xnn.ffnn.models.oplslib, xnn.ffnn.models.ffield).

Modules

elements	Element symbols and atomic numbers shared by the ffnn family.
frc	The MolSSI/SEAMM .frc force-field file format.
typing	Atom typing from a force field's SMARTS templates.