xnn.common.models#
Modules
The contract every model obeys. |
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Grimme DFT-D3 London dispersion: a geometry-dependent correction for any xnn model. |
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DFT-D4 London dispersion: a charge-dependent correction for any xnn model. |
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Shared machinery of the dispersion add-ons (DFT-D3, DFT-D4). |
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Latent Ewald Summation (LES): long-range interactions for any xnn model. |
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Tensor operations shared across model families (cnn / dnn / gnn). |
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Differentiate energy to get conservative forces and the stress tensor. |
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Name -> class registry so new models are added without touching the core. |