xnn.common.models#

Modules

base

The contract every model obeys.

d3

Grimme DFT-D3 London dispersion: a geometry-dependent correction for any xnn model.

d4

DFT-D4 London dispersion: a charge-dependent correction for any xnn model.

dispersion

Shared machinery of the dispersion add-ons (DFT-D3, DFT-D4).

les

Latent Ewald Summation (LES): long-range interactions for any xnn model.

ops

Tensor operations shared across model families (cnn / dnn / gnn).

outputs

Differentiate energy to get conservative forces and the stress tensor.

registry

Name -> class registry so new models are added without touching the core.